Basic information
- Standard SMILES
CC(O)(c1cccc(Br)c1)C(F)(F)F- InChIKey
NSFHTONABRSTTQ-UHFFFAOYSA-N- Molecular formula
- C9H8BrF3O
- Average molar mass
- 269.06 g/mol
- Monoisotopic mass
- 267.97106
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-1,1,1-trifluoropropan-2-ol
- IUPAC
- 2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol
Names & synonyms
2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol122243-30-5MFCD16068003SCHEMBL12170409XEA24330AKOS010909459SY195828CS-0265056EN300-96208F883402-(3-Bromophenyl)-1,1,1-trifluoro-2-propanol2-(3-bromophenyl)-1,1,1-trifluoro-propan-2-ol
Show more names
F675858Z838950834
Database identifiers
- PubChem CID
- 53496384
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
- 14
- Formal charge
- 0
- Complexity
- 207
Related reactions
1 records
Compound notes
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