2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)heptanal

HCID 36945

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Basic information

CAS: 34844-09-2
Standard SMILES: CCCCCC(C=O)C(O)(C(F)(F)F)C(F)(F)F
InChIKey: LAGMUDQEYWWRCU-UHFFFAOYSA-N
Molecular formula: C10H14F6O2
Average molar mass: 280.21 g/mol
Monoisotopic mass: 280.08979866

Names & identifiers

Preferred name: 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)heptanal
IUPAC: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanal

Names & synonyms

34844-09-22-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanalDTXSID60956317RefChem:1060596DTXCID3013842842-(1-Hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)heptanalBRN 24599572-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl) heptaldehydeHEPTANAL, 2-(1-HYDROXY-2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL)-Heptanal, 2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-

Database identifiers

CAS: 34844-09-2
PubChem CID: 36945
DTXSID: DTXSID60956317
Nikkaji: J73.611B

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 257

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