4-Fluorotetrahydro-2H-pyran-4-carboxylic acid

C₆H₉FO₃CAS 1150617-62-1148.13 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₆H₉FO₃
Molar mass: 148.13 g/mol
Exact mass: 148.0536 Da
logP: 0.59Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

1150617-62-1

SMILES

O=C(O)C1(F)CCOCC1

InChIKey

CGKBHMJXQWPYDK-UHFFFAOYSA-N

InChI

InChI=1S/C6H9FO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H,8,9)

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

Names and synonyms

1 names

2H-Pyran-4-carboxylic acid, 4-fluorotetrahydro-

Work with 4-Fluorotetrahydro-2H-pyran-4-carboxylic acid

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

3-Aminotetrahydrofuran-3-carboxylic acid125218-55-545 % similar 1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-443 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-841 % similar 1,1-Cyclopropanedicarboxylic acid598-10-741 % similar Trifluoroacetic acid76-05-141 % similar 1-(Trifluoromethyl)cyclobutanecarboxylic acid277756-45-341 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic acid172843-97-940 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-837 % similar

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

Same formula

Ethyl 2-fluoro-3-oxobutanoate1522-41-4 Methyl 2-fluoro-3-oxopentanoate180287-02-9

Elsewhere

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