Dimethyl hexafluoroglutarate

C7H6F6O4CAS 1513-62-8268.11 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C7H6F6O4
Molar mass
268.11 g/mol
Exact mass
268.0170 Da
logP
1.24Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
1513-62-8
SMILES
COC(=O)C(C(C(C(=O)OC)(F)F)(F)F)(F)F
InChIKey
PJZVBCPDYSZAJU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F6O4/c1-16-3(14)5(8,9)7(12,13)6(10,11)4(15)17-2/h1-2H3

Weigh it out

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

Work with Dimethyl hexafluoroglutarate

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 perfluorohexanedioate3107-98-091 % similar Dimethyl dodecafluorosuberate2062-20-687 % similar Dimethyl perfluoroazelate22116-90-187 % similar Dimethyl perfluorosebacate4590-24-387 % similar Dimethyl perfluoro-1,10-decanedicarboxylate84750-88-987 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-180 % similar Dimethyl tetrafluorosuccinate356-36-577 % similar Methyl perfluoroheptanoate14312-89-174 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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