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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 perfluoroheptanoate14312-89-1100 % similar Methyl perfluorohexadecanoate165457-57-8100 % similar Methyl perfluorotetradecanoate203302-99-2100 % similar Methyl perfluorooctanoate376-27-2100 % similar Methyl perfluorononanoate51502-45-5100 % similar Methyl perfluorododecanoate56554-52-0100 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-185 % similar Dimethyl dodecafluorosuberate2062-20-685 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook