4,4-Difluoroheptanedioic acid diethyl ester

C11H18F2O4CAS 22515-16-8252.26 g/mol

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Alkyl halideEster

Properties

Molecular formula
C11H18F2O4
Molar mass
252.26 g/mol
Exact mass
252.1173 Da
logP
2.31Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
22515-16-8
SMILES
CCOC(=O)CCC(CCC(=O)OCC)(F)F
InChIKey
XUOBBVMKXUPPEW-UHFFFAOYSA-N
InChI
InChI=1S/C11H18F2O4/c1-3-16-9(14)5-7-11(12,13)8-6-10(15)17-4-2/h3-8H2,1-2H3

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Names and synonyms

1 names
  • Diethyl 4,4-difluoroheptanedioate

Work with 4,4-Difluoroheptanedioic acid diethyl ester

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

Ethyl 4,4,4-trifluorobutyrate371-26-672 % similar Diethyl succinate123-25-162 % similar Diethyl glutarate818-38-259 % similar Diethyl adipate141-28-657 % similar Ethyl butyrate105-54-455 % similar Diethyl sebacate110-40-755 % similar Diethyl pimelate2050-20-655 % similar Diethyl suberate2050-23-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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