[1-(2,2,2-Trifluoro-1-methyl-ethyl)-azetidin-3-YL]-methanol
Basic information
- CAS
1263285-99-9- Standard SMILES
CC(N1CC(CO)C1)C(F)(F)F- InChIKey
VLMMTELCEYMWMA-UHFFFAOYSA-N- Molecular formula
- C7H12F3NO
- Average molar mass
- 183.17 g/mol
- Monoisotopic mass
- 183.08709849
Names & identifiers
- Preferred name
- [1-(2,2,2-Trifluoro-1-methyl-ethyl)-azetidin-3-YL]-methanol
- IUPAC
- [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol
- English name
- [1-(2,2,2-Trifluoro-1-methyl-ethyl)-azetidin-3-yl]-methanol
- Molecular formula
- C7H12F3NO
- Molecular weight
- 183.17
Names & synonyms
1263285-99-9[1-(2,2,2-TRIFLUORO-1-METHYL-ETHYL)-AZETIDIN-3-YL]-METHANOL[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol[1-(2,2,2-trifluoro-1-methylethyl)azetidin-3-yl]methanolSCHEMBL2219536AKOS015842059DB-3449893-Azetidinemethanol, 1-(2,2,2-trifluoro-1-methylethyl)-
Database identifiers
- CAS
1263285-99-9- PubChem CID
- 46942221
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 127 · 127.0±40.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 14.82 · 14.82±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…