Basic information
- CAS
100482-47-1- Standard SMILES
OC(CCc1ccccc1)(C(F)(F)F)C(F)(F)F- InChIKey
UPXUFKHOKCDHIX-UHFFFAOYSA-N- Molecular formula
- C11H10F6O
- Average molar mass
- 272.19 g/mol
- Monoisotopic mass
- 272.06358391
Names & identifiers
- Preferred name
- 2-Butanol, 4-phenyl-1,1,1-trifluoro-2-trifluoromethyl-
- IUPAC
- 1,1,1-trifluoro-4-phenyl-2-(trifluoromethyl)butan-2-ol
Names & synonyms
2-BUTANOL, 4-PHENYL-1,1,1-TRIFLUORO-2-TRIFLUOROMETHYL-100482-47-14-Phenyl-1,1,1-trifluoro-2-trifluoromethyl-2-butanolDTXSID60143326RefChem:257777DTXCID90658171,1,1-trifluoro-4-phenyl-2-(trifluoromethyl)butan-2-olNSC159992UPXUFKHOKCDHIX-UHFFFAOYSA-NNSC-159992Benzenepropanol, .alpha.,.alpha.-bis(trifluoromethyl)-
Database identifiers
- CAS
100482-47-1- PubChem CID
- 57907
- DTXSID
DTXSID60143326- Nikkaji
- J65.724G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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