Basic information
- CAS
101931-57-1- Standard SMILES
CC(C)(O)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
BXXMNESHOLNUNS-UHFFFAOYSA-N- Molecular formula
- C7H10F6O2
- Average molar mass
- 240.14 g/mol
- Monoisotopic mass
- 240.05849853
Names & identifiers
- Preferred name
- 2,4-Pentanediol, 4-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
- IUPAC
- 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane-2,4-diol
Names & synonyms
101931-57-12,4-Pentanediol, 4-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-Methyl-1,1,1-trifluoro-2-trifluoromethyl-2,4-pentanediolDTXSID70144369RefChem:246877DTXCID60668601,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane-2,4-diolNSC162158SCHEMBL15134123BXXMNESHOLNUNS-UHFFFAOYSA-NNSC-1621584-Methyl-1,1,1-trifluoro-2-(trifluoromethyl)-2,4-pentanediol
Show more names
2,4-Pentanediol, 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)-
Database identifiers
- CAS
101931-57-1- PubChem CID
- 294166
- DTXSID
DTXSID70144369- Nikkaji
- J65.571F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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