Basic information
- CAS
101913-88-6- Standard SMILES
ON=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
XJGKGADPBJZEFZ-UHFFFAOYSA-N- Molecular formula
- C9H7F12NO3
- Average molar mass
- 405.14 g/mol
- Monoisotopic mass
- 405.023431
Names & identifiers
- Preferred name
- 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, oxime
- IUPAC
- 1,1,1,7,7,7-hexafluoro-4-hydroxyimino-2,6-bis(trifluoromethyl)heptane-2,6-diol
Names & synonyms
4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, oxime101913-88-62,6-Bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-4-heptanone oximeDTXSID201443391,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone oximeRefChem:293000DTXCID40668301,1,1,7,7,7-hexafluoro-4-(hydroxyimino)-2,6-bis(trifluoromethyl)heptane-2,6-diol4-Heptanone, 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-,?oxime
Database identifiers
- CAS
101913-88-6- PubChem CID
- 59100
- DTXSID
DTXSID20144339- Nikkaji
- J73.654F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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