chempirical

3-Fluoro-dl-valine

C5H10FNO2CAS 43163-94-6135.14 g/mol

Open in Covalent MOL file
OOHNH2F
Alkyl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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)

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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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