Identidad

Pentafluorophenylalanine, L-

No indicado · C9H6F5NO2

01Identidad

Lazychem ID	LC-94030
CAS RN	No indicado
PubChem CID	2761496
Molecular formula	C9H6F5NO2
Molecular weight	255.14 g/mol
IUPAC name	(2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
InChIKey	YYTDJPUFAVPHQA-VKHMYHEASA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Pentafluorophenylalanine, L- — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	1
Secondary amines	0
Tertiary amines	0

SMILES	C(C1=C(C(=C(C(=C1F)F)F)F)F)[C@@H](C(=O)O)N
InChI	No indicado

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.