L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- structure

L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-

(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid

Also Known As: Enamine_000085|L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-|Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-|(2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acid|L-Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-|N-(2-chloro-4-trifluoromethylphenyl)valine|N-(2-chloro-4-trifluoromethylphenyl) valine|N-[2-Chloro-4-(trifluoromethyl)phenyl]-L-valine|(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid|(S)-2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoic acid|(2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoicacid

CAS: 76338-73-3
Molecular Formula C12H13ClF3NO2
Molecular Weight 295.0587 g/mol
LogP 4.4
Topological Polar Surface Area 49.3 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 295.0587
Monoisotopic Mass 295.0587
Heavy Atoms 19
Complexity 323.0

Chemical Identifiers

CAS Number 76338-73-3
SMILES CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)Cl
InChIKey YKSHSSFDOHACTC-JTQLQIEISA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (9 patents) Heterocyclic Building Blocks (3 patents) Organic Building Blocks (14 patents) Pharmaceutical Intermediates (1 patents)

Product Overview

L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- (CAS 76338-73-3), with molecular formula C12H13ClF3NO2 and molecular weight 295.0587 g/mol. IUPAC: (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- is a custom synthesis product. We offer services from milligram to kilogram scale.

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