4-(Trifluoromethyl)-L-phenylalanine

C10H10F3NO2CAS 114926-38-4233.19 g/mol

Open in Covalent MOL file
OOHH2NFFF
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

Warning
Irritant (GHS07)

Aggregated from the 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
114926-38-4
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)C(F)(F)F
InChIKey
CRFFPDBJLGAGQL-QMMMGPOBSA-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-/m0/s1

Weigh it out

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

Work with 4-(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.

4-(Trifluoromethyl)-D-phenylalanine114872-99-0Enantiomer 4-(Trifluoromethyl)phenylalanine14091-16-8Stereo not defined

Similar compounds

3,5-Bis(trifluoromethyl)phenylalanine237076-69-674 % similar D-4-tert-Butyl-phe274262-82-769 % similar p-tert-Butylphenylalanine82372-74-569 % similar 4-Fluoro-L-phenylalanine1132-68-966 % similar 4-Fluoro-D-phenylalanine18125-46-766 % similar P-Fluorophenylalanine51-65-066 % similar D-Tyrosine556-02-565 % similar DL-Tyrosine556-03-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid143438-91-9 D-3-Trifluoromethylphenylalanine14464-67-6 3-Trifluoromethyl-L-phenylalanine14464-68-7 3-Amino-3-(4-trifluoromethylphenyl)-propionic acid180263-44-9 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic Acid3832-73-3 3-(Trifluoromethyl)-dl-phenylalanine63701-37-1

Elsewhere

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