4-(Trifluoromethyl)-D-phenylalanine

C₁₀H₁₀F₃NO₂CAS 114872-99-0233.19 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

114872-99-0

SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)N)C(F)(F)F

InChIKey

CRFFPDBJLGAGQL-MRVPVSSYSA-N

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1

Weigh it out

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

Work with 4-(Trifluoromethyl)-D-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

Similar compounds

3,5-Bis(trifluoromethyl)phenylalanine237076-69-674 % similar 4-Fluoro-L-phenylalanine1132-68-966 % similar P-Fluorophenylalanine51-65-066 % similar D-Tyrosine556-02-565 % similar Dl-tyrosine556-03-665 % similar Tyrosine60-18-465 % similar 4-Amino-dl-phenylalanine2922-41-063 % similar 4-Amino-L-phenylalanine943-80-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Trifluoromethyl)-L-phenylalanine114926-38-4 4-(Trifluoromethyl)phenylalanine14091-16-8 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid143438-91-9 D-3-Trifluoromethylphenylalanine14464-67-6 3-Trifluoromethyl-L-phenylalanine14464-68-7

Elsewhere

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