Basic information
- CAS
101913-81-9- Standard SMILES
O=C(CC(O)(C(F)(F)F)C(F)(F)F)C(Cl)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
UXDVTDJRVGUOAJ-UHFFFAOYSA-N- Molecular formula
- C9H5ClF12O3
- Average molar mass
- 424.57 g/mol
- Monoisotopic mass
- 423.9735597
Names & identifiers
- Preferred name
- 4-Heptanone, 2,6-bis(trifluoromethyl)-3-chloro-2,6-dihydroxy-1,1,1,7,7,7,-hexafluoro-
- IUPAC
- 3-chloro-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one
Names & synonyms
101913-81-94-Heptanone, 2,6-bis(trifluoromethyl)-3-chloro-2,6-dihydroxy-1,1,1,7,7,7,-hexafluoro-RefChem:1070702NSC1685633-Chloro-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone3-chloro-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-oneDTXSID20906813NSC-1685634-Heptanone, 3-chloro-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-
Database identifiers
- CAS
101913-81-9- PubChem CID
- 59093
- DTXSID
DTXSID20906813- Nikkaji
- J73.647C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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