4-Fluorooxane-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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

2 names

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

Work with 4-Fluorooxane-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

1-Fluoro-cyclopropanecarboxylic acid137081-41-571 % similar 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-553 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-453 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-346 % similar 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

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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