Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

C₁₁H₃F₁₉O₂CAS 307-79-9528.11 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₁H₃F₁₉O₂
Molar mass: 528.11 g/mol
Exact mass: 527.9830 Da
logP: 5.80Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

Identifiers

CAS number

307-79-9

SMILES

COC(=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)F

InChIKey

QJFHNYDPNSFJMR-UHFFFAOYSA-N

InChI

InChI=1S/C11H3F19O2/c1-32-2(31)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1H3

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

Names and synonyms

2 names

Decanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-, methyl ester
Decanoic acid, nonadecafluoro-, methyl ester

Work with Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

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

Methyl perfluorotetradecanoate203302-99-2100 % similar Methyl perfluorooctanoate376-27-2100 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-185 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-668 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-762 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-562 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-062 % similar Heptafluorobutyric anhydride336-59-457 % similar

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

Elsewhere

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