3-Trifluoromethyl-L-phenylalanine

C10H10F3NO2CAS 14464-68-7233.19 g/mol

Open in Covalent MOL file
FFFOHONH2
Alkyl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C10H10F3NO2
Molar mass
233.19 g/mol
Exact mass
233.0664 Da
logP
1.66Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
14464-68-7
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C[C@@H](C(=O)O)N
InChIKey
BURBNIPKSRJAIQ-QMMMGPOBSA-N
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1

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Names and synonyms

1 names
  • (S)-2-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid

Work with 3-Trifluoromethyl-L-phenylalanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-3-Trifluoromethylphenylalanine14464-67-6Enantiomer 3-(Trifluoromethyl)-dl-phenylalanine63701-37-1Stereo not defined

Similar compounds

3,5-Bis(trifluoromethyl)phenylalanine237076-69-675 % similar 3-Fluoro-D-phenylalanine110117-84-567 % similar 3-Fluoro-L-phenylalanine19883-77-367 % similar 3-Fluorophenylalanine2629-54-167 % similar 3-Fluorophenylalanine456-88-267 % similar L-M-Tyrosine587-33-764 % similar DL-m-Tyrosine775-06-464 % similar 3-Chloro-L-phenylalanine80126-51-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)-D-phenylalanine114872-99-0 4-(Trifluoromethyl)-L-phenylalanine114926-38-4 4-(Trifluoromethyl)phenylalanine14091-16-8 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid143438-91-9 3-Amino-3-(4-trifluoromethylphenyl)-propionic acid180263-44-9 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic Acid3832-73-3

Elsewhere

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