Basic information
- CAS
101913-89-7- Standard SMILES
O=C(CC(O)(C(F)(F)F)C(F)(F)F)C(c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
ZLNCPJIQFZRCCT-UHFFFAOYSA-N- Molecular formula
- C15H10F12O3
- Average molar mass
- 466.22 g/mol
- Monoisotopic mass
- 466.0438321
Names & identifiers
- Preferred name
- 1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)heptan-4-one
- IUPAC
- 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)heptan-4-one
Names & synonyms
101913-89-71,1,1,7,7,7-hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)heptan-4-oneDTXSID60906817RefChem:1051656DTXCID101335912NSC6643131,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)-4-heptanone4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-3-phenyl-CHEMBL2001721NSC-664313NCI60_0221824-Heptanone, 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)-
Database identifiers
- CAS
101913-89-7- PubChem CID
- 59101
- DTXSID
DTXSID60906817- ChEMBL
CHEMBL2001721- Nikkaji
- J73.655D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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