Methyl perfluorotetradecanoate

C₁₅H₃F₂₇O₂CAS 203302-99-2728.14 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₅H₃F₂₇O₂
Molar mass: 728.14 g/mol
Exact mass: 727.9702 Da
logP: 8.35Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 12

Identifiers

CAS number

203302-99-2

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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

DRRCLKOIEBNFIE-UHFFFAOYSA-N

InChI

InChI=1S/C15H3F27O2/c1-44-2(43)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)42/h1H3

Weigh it out

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

Names and synonyms

2 names

Tetradecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluoro-, methyl ester
Tetradecanoic acid, heptacosafluoro-, methyl ester

Work with Methyl perfluorotetradecanoate

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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate307-79-9100 % 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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