6-(Trifluoromethyl)-L-tryptophan

HCID 53979751

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Basic information

CAS: 52448-18-7
Standard SMILES: N[C@@H](Cc1c[nH]c2cc(C(F)(F)F)ccc12)C(=O)O
InChIKey: JXLKNMYKLNHNNN-VIFPVBQESA-N
Molecular formula: C12H11F3N2O2
Average molar mass: 272.22 g/mol
Monoisotopic mass: 272.07726208

Names & identifiers

Preferred name: 6-(Trifluoromethyl)-L-tryptophan
IUPAC: (2S)-2-amino-3-[6-(trifluoromethyl)-1H-indol-3-yl]propanoic acid

Names & synonyms

52448-18-76-(Trifluoromethyl)-L-tryptophanRefChem:306979(S)-2-Amino-3-(6-(trifluoromethyl)-1H-indol-3-yl)propanoic acid6-(Trifluoromethyl)tryptophan6-trifluoromethyl-tryptophan6-Trifluoromethyl-L-tryptophanSCHEMBL1768423SCHEMBL30317386JXLKNMYKLNHNNN-VIFPVBQESA-NDTXSID001302079MFCD19105441

Database identifiers

CAS: 52448-18-7
PubChem CID: 53979751
DTXSID: DTXSID001302079
Nikkaji: J3.272.213J

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 79.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 348

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