3,3,3-Trifluoro-2-(3-fluorophenyl)propan-1-ol
Basic information
- CAS
1379301-15-1- Standard SMILES
OCC(c1cccc(F)c1)C(F)(F)F- InChIKey
DTZSCLDOVZDBIM-UHFFFAOYSA-N- Molecular formula
- C9H8F4O
- Average molar mass
- 208.15 g/mol
- Monoisotopic mass
- 208.05112752
Names & identifiers
- Preferred name
- 3,3,3-Trifluoro-2-(3-fluorophenyl)propan-1-ol
- IUPAC
- 3,3,3-trifluoro-2-(3-fluorophenyl)propan-1-ol
Names & synonyms
3,3,3-trifluoro-2-(3-fluorophenyl)propan-1-olSCHEMBL9570758DTZSCLDOVZDBIM-UHFFFAOYSA-NDTXSID901250857Benzeneethanol, 3-fluoro-I(2)-(trifluoromethyl)-1379301-15-1
Database identifiers
- CAS
1379301-15-1- PubChem CID
- 20036670
- DTXSID
DTXSID901250857
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
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Compound notes
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