Basic information
- CAS
440659-02-9- Standard SMILES
Oc1ccc(C(Cl)C(F)(F)F)cc1- InChIKey
CAQVBOXIHHKNCZ-UHFFFAOYSA-N- Molecular formula
- C8H6ClF3O
- Average molar mass
- 210.58 g/mol
Names & identifiers
- Preferred name
- 4-(1-Chloro-2,2,2-trifluoroethyl)phenol
- IUPAC
- 4-(1-chloro-2,2,2-trifluoroethyl)phenol
Names & synonyms
4-(1-chloro-2,2,2-trifluoroethyl)phenol440659-02-9SCHEMBL2176520EN300-24211220
Database identifiers
- CAS
440659-02-9- PubChem CID
- 11458494
- EC Number
- 884-428-0
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Related reactions
6 records
Compound notes
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