chempirical

2-(Perfluoro-7-methyloctyl)ethanol

C11H5F19OCAS 31200-98-3514.13 g/mol

Open in Covalent MOL file
HOFFFFFFFFFFFFFFFFFFF
AlcoholAlkyl halide

Properties

Molecular formula
C11H5F19O
Molar mass
514.13 g/mol
Exact mass
514.0037 Da
logP
6.01Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8

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
31200-98-3
SMILES
C(CO)C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
RRPJMPARBFYNMD-UHFFFAOYSA-N
InChI
InChI=1S/C11H5F19O/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h31H,1-2H2

Weigh it out

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Names and synonyms

1 names
  • 1H,1H,2H,2H-Perfluoro-9-methyldecan-1-ol

Work with 2-(Perfluoro-7-methyloctyl)ethanol

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-ol20015-46-7100 % similar 3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol89076-11-985 % similar 2-(Perfluorohexyl)ethanol647-42-774 % similar (Perfluorooctyl)ethanol678-39-774 % similar 2-(Perfluorodecyl)ethanol865-86-174 % similar 2-(Perfluorobutyl)ethanol2043-47-270 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol83192-87-468 % similar 3-(Perfluorooctyl)propanol1651-41-858 % similar

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

Elsewhere

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