PF5

2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE

Created:2006-09-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count6
2D diagram of PF5

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Chemical Component Summary

Name2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE
SynonymsFLUORINATED PHENYLALANINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
FormulaC9 H6 F5 N O2
Molecular Weight255.141
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N
SMILESCACTVS3.341N[CH](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(c1c(c(c(c(c1F)F)F)F)F)C(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
InChIKeyInChI1.03 YYTDJPUFAVPHQA-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 2761496, 7015671