Basic information
- CAS
101913-83-1- Standard SMILES
O=C(CC(O)(C(F)(F)F)C(F)(F)Cl)CC(O)(C(F)(F)F)C(F)(F)Cl- InChIKey
HYRVFUYATWPFFE-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2F10O3
- Average molar mass
- 423.03 g/mol
- Monoisotopic mass
- 421.9534311
Names & identifiers
- Preferred name
- 4-Heptanone, 2,6-bis(trifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-
- IUPAC
- 1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one
Names & synonyms
2,6-Bis(trifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-4-heptanone101913-83-12,6-Bis(trifluoromethyl)-1,7-dichloro-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone4-Heptanone, 2,6-bis(trifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-RefChem:292995NSC6591741-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-oneNCIMech_000794CHEMBL1992156SCHEMBL31678942DTXSID40906815NSC-659174
Show more names
1,7-Dichloro-1,1,7,7-tetrafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanoneNCI60_0208381-Chloro-6-[chlorodi(fluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one
Database identifiers
- CAS
101913-83-1- PubChem CID
- 59095
- DTXSID
DTXSID40906815- ChEMBL
CHEMBL1992156
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…