2,4,6-Heptanetriol, 2,6-bis(trifluoromethyl)-1,1,1,7,7,7-hexafluoro-
Basic information
- CAS
68325-20-2- Standard SMILES
OC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
XZAWDIMRXPIAIM-UHFFFAOYSA-N- Molecular formula
- C9H8F12O3
- Average molar mass
- 392.14 g/mol
- Monoisotopic mass
- 392.0281821
Names & identifiers
- Preferred name
- 2,4,6-Heptanetriol, 2,6-bis(trifluoromethyl)-1,1,1,7,7,7-hexafluoro-
- IUPAC
- 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,4,6-triol
Names & synonyms
68325-20-22,4,6-HEPTANETRIOL, 2,6-BIS(TRIFLUOROMETHYL)-1,1,1,7,7,7-HEXAFLUORO-BRN 20018032,6-Bis(trifluoromethyl)-1,1,1,7,7,7-hexafluoro-2,4,6-heptanetriolDTXSID10218472NSC 162136RefChem:245704DTXCID301409631,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,4,6-triolMFCD017237791,1,1,7,7,7-Hexafluoro-2,6-bis(trifluoromethyl)heptan-2,4,6-triolC9H8F12O3
Show more names
NSC162136SCHEMBL11913514XZAWDIMRXPIAIM-UHFFFAOYSA-NNSC-1621362,4,6-Heptanetriol,?1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)-
Database identifiers
- CAS
68325-20-2- PubChem CID
- 50143
- DTXSID
DTXSID10218472- Nikkaji
- J73.628G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 363
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Related reactions
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Compound notes
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