Basic information
- CAS
101913-91-1- Standard SMILES
O=C(CCCCl)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
ARMZHMFYYMRUOR-UHFFFAOYSA-N- Molecular formula
- C8H9ClF6O2
- Average molar mass
- 286.6 g/mol
- Monoisotopic mass
- 286.0195262
Names & identifiers
- Preferred name
- 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-
- IUPAC
- 7-chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)heptan-4-one
- English name
- 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-
- Molecular formula
- C8H9ClF6O2
- Molecular weight
- 286.6
Names & synonyms
101913-91-14-HEPTANONE, 7-CHLORO-2-HYDROXY-1,1,1-TRIFLUORO-2-TRIFLUOROMETHYL-7-Chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-4-heptanoneDTXSID90144341RefChem:293004DTXCID40668327-chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)heptan-4-oneNSC162312NSC-1623124-Heptanone, 7-chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-
Database identifiers
- CAS
101913-91-1- PubChem CID
- 59103
- DTXSID
DTXSID90144341- Nikkaji
- J73.657K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 290.4 · 290.4±40.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.29(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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