chempirical

1H,1H,2H,2H-Perfluoro-7-methyloctan-1-ol

C9H5F15OCAS 20015-46-7414.11 g/mol

Open in Covalent MOL file
OHFFFFFFFFFFFFFFF
AlcoholAlkyl halide

Properties

Molecular formula
C9H5F15O
Molar mass
414.11 g/mol
Exact mass
414.0101 Da
logP
4.74Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

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
20015-46-7
SMILES
C(CO)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
WVZPXINSJOBSTI-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F15O/c10-3(11,1-2-25)5(13,14)7(17,18)6(15,16)4(12,8(19,20)21)9(22,23)24/h25H,1-2H2

Weigh it out

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

Names and synonyms

1 names
  • 3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octan-1-ol

Work with 1H,1H,2H,2H-Perfluoro-7-methyloctan-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

2-(Perfluoro-7-methyloctyl)ethanol31200-98-3100 % 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

Same formula

3-Ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane297730-93-9

Elsewhere

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