4,6-Nonanedione, 2,8-bis(trifluoromethyl)-2,8-dihydroxy-1,1,1,9,9,9-hexafluoro-
Basic information
- CAS
101832-24-0- Standard SMILES
O=C(CC(=O)CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
FXKRUMSLBBAAEF-UHFFFAOYSA-N- Molecular formula
- C11H8F12O4
- Average molar mass
- 432.16 g/mol
- Monoisotopic mass
- 432.0230967
Names & identifiers
- Preferred name
- 4,6-Nonanedione, 2,8-bis(trifluoromethyl)-2,8-dihydroxy-1,1,1,9,9,9-hexafluoro-
- IUPAC
- 1,1,1,9,9,9-hexafluoro-2,8-dihydroxy-2,8-bis(trifluoromethyl)nonane-4,6-dione
Names & synonyms
4,6-NONANEDIONE, 2,8-BIS(TRIFLUOROMETHYL)-2,8-DIHYDROXY-1,1,1,9,9,9-HEXAFLUORO-101832-24-02,8-Bis(trifluoromethyl)-2,8-dihydroxy-1,1,1,9,9,9-hexafluoro-4,6-nonanedioneDTXSID401442502,8-Dihydroxy-1,1,1,9,9,9-hexafluoro-2,8-bis(trifluoromethyl)-4,6-nonanedioneRefChem:285993DTXCID0066741NSC1600191,1,1,9,9,9-hexafluoro-2,8-dihydroxy-2,8-bis(trifluoromethyl)nonane-4,6-dioneCHEMBL1995411NSC-1600191,1,1,9,9,9-Hexafluoro-2,8-dihydroxy-2,8-bis(trifluoromethyl)-4,6-nonanedione
Show more names
NCI60_0011824,6-Nonanedione, 1,1,1,9,9,9-hexafluoro-2,8-dihydroxy-2,8-bis(trifluoromethyl)-?
Database identifiers
- CAS
101832-24-0- PubChem CID
- 58984
- DTXSID
DTXSID40144250- ChEMBL
CHEMBL1995411- Nikkaji
- J64.700D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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