1,1,1-Trifluoro-2-octanol
Also: 2-Octanol, 1,1,1-trifluoro-, NSC-42759
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 23479926-5f8e-4545-92f6-6af452c91d3b
- Version
- 6
- UNII
- W5J8VU54KA
- Codes
- Uuid
- c83181e9-8a68-4a00-a77f-29d6fe4996a1
- Code
- W5J8VU54KA
- Type
- PRIMARY
- Code system
- FDA UNII
- Uuid
- cfe83786-3acb-4d1c-a46d-e6952351fe34
- Code
- 453-43-0
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=453-43-0
- Code system
- CAS
- References
- 6abb6dc7-39ea-448b-95b1-cae9defb395a, 3f2c81b8-cdf9-430e-9b80-f416aab046be
- Uuid
- 5a377e7c-6efe-43c2-8c2b-26e5c36f27db
- Code
- 207-220-8
- Type
- PRIMARY
- Url
- https://echa.europa.eu/substance-information/-/substanceinfo/100.006.565
- Code system
- ECHA (EC/EINECS)
- References
- 6abb6dc7-39ea-448b-95b1-cae9defb395a
- Uuid
- 4a367ded-1f1f-4ba7-9a6a-308d993c08d8
- Code
- 97804
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/97804
- Code system
- PUBCHEM
- References
- 6abb6dc7-39ea-448b-95b1-cae9defb395a
- Uuid
- d60bd025-c0b3-bbf6-5de9-a6b13f4f49b8
- Code
- 42759
- Type
- PRIMARY
- Url
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=42759
- Code system
- NSC
- References
- 863fc5cd-4cf1-a415-ef60-e8a6fb00e679
- Uuid
- 89f1f694-1e6f-c2e6-833e-db56d49f526a
- Code
- DTXSID00883239
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID00883239
- Code system
- EPA CompTox
- Names
- Uuid
- c0e5c743-878a-470f-ac75-75ec8efb22a0
- Name
- 1,1,1-Trifluoro-2-octanol
- StdName
- 1,1,1-TRIFLUORO-2-OCTANOL
- Type
- sys
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- 3f2c81b8-cdf9-430e-9b80-f416aab046be
- Uuid
- c4634507-beff-4027-a592-5176ddd148f6
- Name
- 2-Octanol, 1,1,1-trifluoro-
- StdName
- 2-OCTANOL, 1,1,1-TRIFLUORO-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- f6bb84b1-a3c0-4336-a15a-927f0015caf2, 6e6780c0-7a4f-4aab-8749-5140fab7b627
- Uuid
- 80106439-a584-49bd-bb4c-0b9ea9cd1b35
- Name
- NSC-42759
- StdName
- NSC-42759
- Type
- cd
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- f6bb84b1-a3c0-4336-a15a-927f0015caf2, 6e6780c0-7a4f-4aab-8749-5140fab7b627
- References
- Uuid
- 6e6780c0-7a4f-4aab-8749-5140fab7b627
- Citation
- CHEMID
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN
- Uuid
- f6bb84b1-a3c0-4336-a15a-927f0015caf2
- Citation
- CHEMID
- Doc type
- CHEMID
- Public domain
- true
- Tags
- NOMEN
- Uuid
- 6abb6dc7-39ea-448b-95b1-cae9defb395a
- Citation
- SRS CODE IMPORT
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493394177000
- Tags
- NOMEN
- Uuid
- 863fc5cd-4cf1-a415-ef60-e8a6fb00e679
- Citation
- NCI
- Doc type
- NCI DRUG DICTIONARY
- Public domain
- true
- Uuid
- 3f2c81b8-cdf9-430e-9b80-f416aab046be
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE, NOMEN
- Moieties
- Uuid
- a822d2e6-0bb7-4baf-82db-c30b587c7c8d
- ID
- a822d2e6-0bb7-4baf-82db-c30b587c7c8d
- Smiles
- CCCCCCC(C(F)(F)F)O
- Formula
- C8H15F3O
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- RACEMIC
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 184.1996
- Optical activity
- ( + / - )
- Stereo centers
- 1
- Molfile
Marvin 01132108442D 12 11 0 0 0 0 999 V2000 5.7031 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8464 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0 1.4198 -0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 1.0597 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 1.0562 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0171 0.0000 F 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 0 0 0 0 7 9 1 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 23fa2bae-77e4-438d-a0ab-7c7b5df42681
- Structure
- ID
- 5df0a19c-baef-4f22-8068-26149f280863
- Smiles
- CCCCCCC(C(F)(F)F)O
- Formula
- C8H15F3O
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 184.1996
- Optical activity
- ( + / - )
- Stereo centers
- 1
- Molfile
JSDraw201152518562D 12 11 0 0 0 0 0 V2000 17.3200 -7.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6710 -8.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0220 -7.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3730 -8.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7239 -7.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0750 -8.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4260 -7.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7770 -8.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9970 -9.5415 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 28.1280 -8.9705 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 27.5570 -6.8395 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 25.4260 -5.8505 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 5 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 8 10 1 0 0 0 0 8 11 1 0 0 0 0 7 12 1 0 0 0 0 M END
- References
- 6e6780c0-7a4f-4aab-8749-5140fab7b627