3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol

C₇H₅F₁₁OCAS 89076-11-9314.10 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₇H₅F₁₁O
Molar mass: 314.10 g/mol
Exact mass: 314.0165 Da
logP: 3.47Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

89076-11-9

SMILES

C(CO)C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F

InChIKey

CEUQRWZHUUPZGD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F11O/c8-3(9,1-2-19)5(11,12)4(10,6(13,14)15)7(16,17)18/h19H,1-2H2

Weigh it out

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Names and synonyms

1 names

1H,1H,2H,2H-Perfluoro-5-methylhexan-1-ol

Work with 3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H,1H,2H,2H-Perfluoro-7-methyloctan-1-ol20015-46-785 % similar 2-(Perfluoro-7-methyloctyl)ethanol31200-98-385 % similar 2-(Perfluorobutyl)ethanol2043-47-269 % similar 2-(Perfluorohexyl)ethanol647-42-767 % similar (Perfluorooctyl)ethanol678-39-767 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol83192-87-467 % similar 2-(Perfluorodecyl)ethanol865-86-167 % similar 3-(Perfluoropropyl)propanol679-02-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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