Methyl 3,3-difluorocyclobutanecarboxylate

C₆H₈F₂O₂CAS 1234616-13-7150.12 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₆H₈F₂O₂
Molar mass: 150.12 g/mol
Exact mass: 150.0492 Da
logP: 1.20Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

1234616-13-7

SMILES

COC(=O)C1CC(F)(F)C1

InChIKey

KXPLKLQVORGLGC-UHFFFAOYSA-N

InChI

InChI=1S/C6H8F2O2/c1-10-5(9)4-2-6(7,8)3-4/h4H,2-3H2,1H3

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Names and synonyms

1 names

Cyclobutanecarboxylic acid, 3,3-difluoro-, methyl ester

Work with Methyl 3,3-difluorocyclobutanecarboxylate

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 cyclopropanecarboxylate2868-37-356 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-256 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-056 % similar Methyl cyclohexanecarboxylate4630-82-455 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-152 % similar Methyl tetrahydropyran-4-carboxylate110238-91-048 % similar Methyl 2,3,3,3-tetrafluoropropanoate382-93-447 % similar Methyl 3-hydroxycyclobutanecarboxylate4934-99-047 % similar

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

Elsewhere

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