Dimethyl dodecafluorosuberate

C₁₀H₆F₁₂O₄CAS 2062-20-6418.13 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₀H₆F₁₂O₄
Molar mass: 418.13 g/mol
Exact mass: 418.0074 Da
logP: 3.14Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 7

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

2062-20-6

SMILES

COC(=O)C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChIKey

SLFDDMXEAUAENU-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F12O4/c1-25-3(23)5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(24)26-2/h1-2H3

Weigh it out

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

Work with Dimethyl dodecafluorosuberate

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

Dimethyl perfluoroazelate22116-90-1100 % similar Dimethyl perfluorosebacate4590-24-3100 % similar Dimethyl perfluoro-1,10-decanedicarboxylate84750-88-9100 % similar Dimethyl perfluorohexanedioate3107-98-095 % similar Dimethyl hexafluoroglutarate1513-62-887 % similar Methyl perfluoroheptanoate14312-89-185 % similar Methyl perfluorohexadecanoate165457-57-885 % similar Methyl perfluorotetradecanoate203302-99-285 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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