3-(Perfluoro-N-hexyl)prop-2-en-1-ol

C₉H₅F₁₃OCAS 38550-47-9376.12 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide

Properties

Molecular formula: C₉H₅F₁₃O
Molar mass: 376.12 g/mol
Exact mass: 376.0133 Da
logP: 4.27Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6
Double bonds: EE/Z, in SMILES order

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

38550-47-9

SMILES

C(/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChIKey

ATYZUVRSTXBJLR-OWOJBTEDSA-N

InChI

InChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2/b2-1+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-(Perfluoro-N-hexyl)prop-2-en-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

1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene84551-43-958 % similar Heptadecafluoro-1-decene21652-58-445 % similar (Perfluorohexyl)ethylene25291-17-245 % similar 1H,1H,2H-Perfluoro-1-dodecene30389-25-445 % similar 4,4,4-Trifluoro-2-buten-1-ol674-53-345 % similar (Perfluorobutyl)ethylene19430-93-442 % similar 1H,1H-Perfluoro-1-tetradecanol15622-57-841 % similar 1H,1H-Perfluorooctanol307-30-241 % similar

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

Same formula

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxirane38565-52-5

Elsewhere

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