Ethyl 4,4-difluorocyclohexanecarboxylate

C₉H₁₄F₂O₂CAS 178312-47-5192.21 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₉H₁₄F₂O₂
Molar mass: 192.21 g/mol
Exact mass: 192.0962 Da
logP: 2.38Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

178312-47-5

SMILES

CCOC(=O)C1CCC(F)(F)CC1

InChIKey

HZZDWLBBNSDYQM-UHFFFAOYSA-N

InChI

InChI=1S/C9H14F2O2/c1-2-13-8(12)7-3-5-9(10,11)6-4-7/h7H,2-6H2,1H3

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

Names and synonyms

2 names

Cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester
4,4-Difluorocyclohexanecarboxylic acid ethyl ester

Work with Ethyl 4,4-difluorocyclohexanecarboxylate

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 cyclobutanecarboxylate14924-53-967 % similar Ethyl cyclopropanecarboxylate4606-07-966 % similar Ethyl cyclohexanecarboxylate3289-28-965 % similar Ethyl isonipecotate1126-09-656 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-456 % similar Ethyl 4-hydroxycyclohexanecarboxylate17159-80-754 % similar trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-054 % similar Ethyl cyclopent-3-enecarboxylate21622-01-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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