3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol

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Basic information

CAS: 64011-45-6
Standard SMILES: CC(CO)C(F)(F)C(F)C(F)(F)F
InChIKey: CWMCAODVQDQZOC-UHFFFAOYSA-N
Molecular formula: C6H8F6O
Average molar mass: 210.12 g/mol
Monoisotopic mass: 210.04793385

Names & identifiers

Preferred name: 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
IUPAC: 3,3,4,5,5,5-hexafluoro-2-methylpentan-1-ol

Names & synonyms

3,3,4,5,5,5-hexafluoro-2-methylpentan-1-ol64011-45-6DTXSID40981925RefChem:1065564DTXCID8014091921-Pentanol, 3,3,4,5,5,5-hexafluoro-2-methyl-3,3,4,5,5,5-Hexafluoro-2-methyl-1-pentanol

Database identifiers

CAS: 64011-45-6
PubChem CID: 115661
DTXSID: DTXSID40981925
Nikkaji: J65.588K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 165

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Compound notes

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