2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-
Basic information
- CAS
101931-66-2- Standard SMILES
O=C(CCl)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
NAOYHAKZLFCKQW-UHFFFAOYSA-N- Molecular formula
- C6H5ClF6O2
- Average molar mass
- 258.54 g/mol
- Monoisotopic mass
- 257.9882261
Names & identifiers
- Preferred name
- 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-
- IUPAC
- 1-chloro-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one
Names & synonyms
2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-101931-66-2DTXSID60144373RefChem:1064079DTXCID6066864NIOSH/SA8147000SA814700005-Chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-4-pentanone2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-2-(trifluoromethyl)-3-Chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-4-pentanoneNAOYHAKZLFCKQW-UHFFFAOYSA-N1-chloro-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one
Show more names
2-Pentanone, 1-chloro-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-
Database identifiers
- CAS
101931-66-2- PubChem CID
- 3029720
- DTXSID
DTXSID60144373
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…