Basic information
- CAS
1349718-62-2- Standard SMILES
OCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1- InChIKey
AXLFPKJQAXAARH-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO
- Average molar mass
- 253.22 g/mol
- Monoisotopic mass
- 253.07144843
Names & identifiers
- Preferred name
- 4-(6-Trifluoromethylphenyl)benzyl alcohol
- IUPAC
- [4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanol
Names & synonyms
1349718-62-24-(6-Trifluoromethylphenyl)benzyl alcohol(4-(6-(trifluoromethyl)pyridin-3-yl)phenyl)methanolBenzenemethanol, 4-[6-(trifluoromethyl)-3-pyridinyl]-{4-[6-(Trifluoromethyl)pyridin-3-yl]phenyl}methanolDTXSID201214880I70898
Database identifiers
- CAS
1349718-62-2- PubChem CID
- 56604792
- DTXSID
DTXSID201214880
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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