chempirical

3-(Perfluorooctyl)propanol

C11H7F17OCAS 1651-41-8478.15 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFFFFFHO
AlcoholAlkyl halide

Properties

Molecular formula
C11H7F17O
Molar mass
478.15 g/mol
Exact mass
478.0225 Da
logP
5.77Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
9

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
1651-41-8
SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChIKey
FQTWAKFTSLUFFS-UHFFFAOYSA-N
InChI
InChI=1S/C11H7F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h29H,1-3H2

Weigh it out

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

Work with 3-(Perfluorooctyl)propanol

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

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-4100 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-896 % similar 3-(Perfluoropropyl)propanol679-02-784 % similar 2-(Perfluorohexyl)ethanol647-42-777 % similar (Perfluorooctyl)ethanol678-39-777 % similar 2-(Perfluorodecyl)ethanol865-86-177 % similar 2-(Perfluorobutyl)ethanol2043-47-273 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-665 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook