chempirical

ω-Hydroperfluoroundecanoic acid

C11H2F20O2CAS 1765-48-6546.10 g/mol

Open in Covalent MOL file
OHOFFFFFFFFFFFFFFFFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C11H2F20O2
Molar mass
546.10 g/mol
Exact mass
545.9735 Da
logP
6.05Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
10

Identifiers

CAS number
1765-48-6
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
MMYNPHSPRPZSSN-UHFFFAOYSA-N
InChI
InChI=1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)

Weigh it out

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

Names and synonyms

5 names
  • Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoroundecanoic acid
  • 11-H-Eicosafluoroundecanoic acid
  • ω-Monohydroperfluoroundecanoic acid
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecanoic acid

Work with ω-Hydroperfluoroundecanoic acid

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

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid1546-95-8100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid76-21-1100 % similar ω-Hydroperfluorovaleric acid376-72-786 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-364 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoyl chloride423-95-060 % similar Perfluorooctadecanoic acid16517-11-659 % similar Perfluorohexanoic acid307-24-459 % similar Perfluorododecanoic acid307-55-159 % similar

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

Elsewhere

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