(S)-4-Fluorophenylglycine

HCID 853015

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Basic information

CAS: 19883-57-9
Standard SMILES: N[C@H](C(=O)O)c1ccc(F)cc1
InChIKey: JKFYKCYQEWQPTM-ZETCQYMHSA-N
Molecular formula: C8H8FNO2
Average molar mass: 169.15 g/mol
Monoisotopic mass: 169.05390672

Names & identifiers

Preferred name: (S)-4-Fluorophenylglycine
IUPAC: (2S)-2-amino-2-(4-fluorophenyl)acetic acid
English name: (S)-4-Fluorophenylglycine
Molecular formula: C8H8FNO2
Molecular weight: 169.15

Names & synonyms

19883-57-9(S)-4-FluorophenylglycineDTXSID80357387RefChem:211102DTXCID90308446(s)-2-amino-2-(4-fluorophenyl)acetic acidL-4-Fluorophenylglycine(2S)-2-amino-2-(4-fluorophenyl)acetic acid4-Fluoro-L-alpha-phenylglycineL-4FPGH-Phg(4-F)-OHMFCD00213799

Show more names

(S)-4-FLL-4-F-Phg-OHinhibit,Inhibitor(S)-4-Fluorophenylgl4-FLUORO-L-PHENYLGLYCINE(S)-4-Fluorophenyl gycine

L4FPG4-Fluoro-L-2-phenylglycineBENZENEACETIC ACID, ALPHA-AMINO-4-FLUORO-, (ALPHAS)-AKOS015854067(2S)-2-azaniumyl-2-(4-fluorophenyl)acetateEN300-91504l(+)-4-fluorophenylglycine2-(4-fluorophenyl)-L-glycine

Database identifiers

CAS: 19883-57-9
PubChem CID: 853015
DTXSID: DTXSID80357387
ChEMBL: CHEMBL4088806
Nikkaji: J215.865E

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 300 °C · ≥300 °C
alpha: 138 · 138 º (c=1%,1N HCl)
Boiling point: 289.9 · 289.9±30.0 °C(Predicted)
Density: 1.2345 · 1.2345 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 1 M · Soluble in 1M HCl.
form: Solid
pka: 1.9 · 1.90±0.10(Predicted)
color: White to off-white
optical activity: Consistent with structure
InChI: InChI=1/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/s3
InChIKey: JKFYKCYQEWQPTM-KPOCXSGKNA-N
SMILES: [C@@H](N)(C(=O)O)C1=CC=C(F)C=C1 |&1:0,r|
CAS DataBase Reference: 19883 · 19883-57-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29224999 · 29224999