2-Amino-3-fluorobutanoic acid

C₄H₈FNO₂CAS 50885-01-3121.11 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₈FNO₂
Molar mass: 121.11 g/mol
Exact mass: 121.0539 Da
logP: -0.24Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50885-01-3

SMILES

CC(C(C(=O)O)N)F

InChIKey

HJVQOHDATXHIJL-UHFFFAOYSA-N

InChI

InChI=1S/C4H8FNO2/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)

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Names and synonyms

1 names

2-Amino-3-fluorobutyric acid

Work with 2-Amino-3-fluorobutanoic 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

DL-Valine516-06-359 % similar D-Valine640-68-659 % similar Valine72-18-459 % similar Allothreonine144-98-955 % similar D-Allothreonine24830-94-255 % similar L-Allothreonine28954-12-355 % similar D-Threonine632-20-255 % similar (S)-Threonine72-19-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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