1-(3-FLUOROPHENYL)-2-(PYRROLIDIN-1-YL)HEXAN-1-ONE
Also: 3-FLUORO-.ALPHA.-PHP, 3-FLUORO-.ALPHA.-PYRROLIDINOHEXANOPHENONE
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 37d87d0a-4ca8-402c-a23e-0337046b91e6
- Version
- 8
- UNII
- 9MY6P287BG
- Codes
- Uuid
- 0764e39c-f1a9-4005-af6a-17378b58ccc5
- Code
- 9MY6P287BG
- Type
- PRIMARY
- Code system
- FDA UNII
- Uuid
- d10b8427-3108-40c9-9032-f1de7ba5fd1d
- Code
- 165412120
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/165412120
- Code system
- PUBCHEM
- References
- 369001a9-6cba-47ba-43bc-e177b2c6b013
- Relationships
- Uuid
- 5cf449d0-cc1a-4350-991f-4307d1420676
- Type
- ACTIVE MOIETY
- Amount
- Uuid
- b5f38d1b-07b7-41fd-81af-b8da1c37fda7
- References
- b3fa7c29-9499-4e7b-a36c-257a79844e0d
- Related substance
- Uuid
- 046bf17f-f31a-4ebb-82d2-8f17a0950765
- Refuuid
- 37d87d0a-4ca8-402c-a23e-0337046b91e6
- Name
- 3-FLUORO-.ALPHA.-PHP
- UNII
- 9MY6P287BG
- Linking ID
- 9MY6P287BG
- Ref pname
- 3-FLUORO-.ALPHA.-PHP
- Substance class
- reference
- Uuid
- f091875d-9727-459b-9e60-f56702bff8d9
- Type
- SALT/SOLVATE->PARENT
- Amount
- Uuid
- 08b2291c-a4dc-40fe-ada5-4b1dbbc00700
- References
- c4c22df5-ac19-42f7-a4bc-0db12b23eceb
- Related substance
- Uuid
- dd0c5089-bb70-4220-94f8-6e52ae818372
- Refuuid
- 18f8afe3-13f1-4efa-961c-895830655176
- Name
- 3-FLUORO-.ALPHA.-PHP HYDROCHLORIDE
- UNII
- 5Q7G67HM64
- Linking ID
- 5Q7G67HM64
- Ref pname
- 3-FLUORO-.ALPHA.-PHP HYDROCHLORIDE
- Names
- Uuid
- a84a3f4a-9a65-42db-9388-0d1cf5ff9f6f
- Name
- 1-(3-FLUOROPHENYL)-2-(PYRROLIDIN-1-YL)HEXAN-1-ONE
- StdName
- 1-(3-FLUOROPHENYL)-2-(PYRROLIDIN-1-YL)HEXAN-1-ONE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- b3fa7c29-9499-4e7b-a36c-257a79844e0d
- Uuid
- 37eeeeca-28da-45b1-8e27-9220866f6ec7
- Name
- 3-FLUORO-.ALPHA.-PHP
- StdName
- 3-FLUORO-.ALPHA.-PHP
- Type
- cn
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- b3fa7c29-9499-4e7b-a36c-257a79844e0d
- Uuid
- 6aabc0ae-3c8e-4de3-97d6-27ba2945cd84
- Name
- 3-FLUORO-.ALPHA.-PYRROLIDINOHEXANOPHENONE
- StdName
- 3-FLUORO-.ALPHA.-PYRROLIDINOHEXANOPHENONE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- b3fa7c29-9499-4e7b-a36c-257a79844e0d
- References
- Uuid
- c4c22df5-ac19-42f7-a4bc-0db12b23eceb
- Citation
- https://www.caymanchem.com/product/31341/3-fluoro-%CE%B1-pyrrolidinohexanophenone-(hydrochloride)
- Url
- https://www.caymanchem.com/product/31341/3-fluoro-%CE%B1-pyrrolidinohexanophenone-(hydrochloride)
- Doc type
- MANUFACTURER PRODUCT DESCRIPTION
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Uuid
- b3fa7c29-9499-4e7b-a36c-257a79844e0d
- Citation
- https://www.caymanchem.com/product/31341/3-fluoro-%CE%B1-pyrrolidinohexanophenone-(hydrochloride)
- Url
- https://www.caymanchem.com/product/31341/3-fluoro-%CE%B1-pyrrolidinohexanophenone-(hydrochloride)
- Doc type
- MANUFACTURER PRODUCT DESCRIPTION
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Uuid
- 369001a9-6cba-47ba-43bc-e177b2c6b013
- Citation
- PubChem
- Doc type
- PUBCHEM
- Public domain
- true
- Moieties
- Uuid
- 92d7406d-9d9b-4ae9-ad62-97fc64e112d5
- ID
- 92d7406d-9d9b-4ae9-ad62-97fc64e112d5
- Smiles
- CCCC(C(C(=O)c1ccccc1)N2CCCC2)F
- Formula
- C16H22FNO
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- MIXED
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 263.351
- Optical activity
- UNSPECIFIED
- Stereo centers
- 2
- Molfile
Marvin 04252122212D 19 20 0 0 0 0 999 V2000 -2.5291 1.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 0.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -0.6182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4438 1.1226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 1.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 2.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4438 2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 -0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5759 -2.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -0.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 8360dcf1-9ef7-41a8-a505-07d7366aa675
- Structure
- ID
- e7d71063-74b2-455b-b4cc-e1b7bd7d8994
- Smiles
- CCCC(C(C(=O)c1ccccc1)N2CCCC2)F
- Formula
- C16H22FNO
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- RACEMIC
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 263.351
- Optical activity
- ( + / - )
- Stereo centers
- 2
- Molfile
JSDraw204252118212D 19 20 0 0 0 0 0 V2000 21.3133 -5.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3571 -6.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8831 -6.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9269 -7.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4449 -8.7028 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 26.4529 -6.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9349 -5.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4185 -4.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4185 -3.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9349 -2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0180 -4.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4967 -8.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0147 -9.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4887 -9.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0067 -11.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0505 -12.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5765 -12.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0585 -10.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0227 -7.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 12 19 2 0 0 0 0 M END
- References
- b3fa7c29-9499-4e7b-a36c-257a79844e0d