ω-Hydroperfluoroundecanoic acid

C₁₁H₂F₂₀O₂CAS 1765-48-6546.10 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 10

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

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 Perfluoroazelaic acid23453-64-768 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-868 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-568 % similar Perfluoro-1,10-decanedicarboxylic acid865-85-068 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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