3-Fluoro-dl-valine

C₅H₁₀FNO₂CAS 43163-94-6135.14 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₁₀FNO₂
Molar mass: 135.14 g/mol
Exact mass: 135.0696 Da
logP: 0.15Crippen 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 4 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

43163-94-6

SMILES

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

InChIKey

ZFUKCHCGMBNYHH-UHFFFAOYSA-N

InChI

InChI=1S/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)

Weigh it out

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

Work with 3-Fluoro-dl-valine

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

3,3,3-Trifluoroalanine17463-43-361 % similar L-tert-Leucine20859-02-361 % similar D-tert-Leucine26782-71-861 % similar tert-Leucine33105-81-661 % similar 3-Methyl-L-threonine2280-27-557 % similar L-Penicillamine1113-41-355 % similar L-Valine, 3,3′-dithiobis-113626-33-855 % similar (±)-Penicillamine52-66-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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