2-(4-Chloro-3-fluorophenyl)-2,2-difluoroethan-1-ol
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Basic information
- CAS
1823848-47-0- Standard SMILES
OCC(F)(F)c1ccc(Cl)c(F)c1- InChIKey
DSUYQSHYSODEQT-UHFFFAOYSA-N- Molecular formula
- C8H6ClF3O
- Average molar mass
- 210.58 g/mol
- Monoisotopic mass
- 210.005927
Names & identifiers
- Preferred name
- 2-(4-Chloro-3-fluorophenyl)-2,2-difluoroethan-1-ol
- IUPAC
- 2-(4-chloro-3-fluorophenyl)-2,2-difluoroethanol
- English name
- 2-(4-chloro-3-fluorophenyl)-2，2-difluoroethan-1-ol
- Molecular formula
- C8H6ClF3O
- Molecular weight
- 210.58
Names & synonyms
2-(4-Chloro-3-fluorophenyl)-2,2-difluoroethan-1-ol1823848-47-0starbld0044215EN300-19375212-(4-chloro-3-fluorophenyl)-22-difluoroethan-1-ol4-Chloro-β,β,3-trifluorobenzeneethanolBenzeneethanol, 4-chloro-β,β,3-trifluoro-2-(4-chloro-3-fluorophenyl)-2，2-difluoroethan-1-ol
Database identifiers
- CAS
1823848-47-0- PubChem CID
- 130135931
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 271.7 · 271.7±35.0 °C(Predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- pka
- 13.21 · 13.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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