2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid

C8H4F5NO2 — CID 22169795

IUPAC2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid
SMILESNC(C(=O)O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F5NO2/c9-2-1(7(14)8(15)16)3(10)5(12)6(13)4(2)11/h7H,14H2,(H,15,16)
InChIKeyYNAXEJQUGRXTNO-UHFFFAOYSA-N
MW241.11 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid

2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid (PubChem CID 22169795) has the molecular formula C8H4F5NO2 and a molecular weight of 241.11 g/mol. Its IUPAC name is 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid
PubChem CID22169795
Molecular FormulaC8H4F5NO2
Molecular Weight241.11 g/mol
Exact Mass241.02
IUPAC Name2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid
SMILESNC(C(=O)O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F5NO2/c9-2-1(7(14)8(15)16)3(10)5(12)6(13)4(2)11/h7H,14H2,(H,15,16)
InChIKeyYNAXEJQUGRXTNO-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid (CID 22169795) is 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid is NC(C(=O)O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid?
The InChIKey is YNAXEJQUGRXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-2-1(7(14)8(15)16)3(10)5(12)6(13)4(2)11/h7H,14H2,(H,15,16).
What are the key properties of 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid?
2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid has a molecular weight of 241.11 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3,4,5,6-pentafluorophenyl)acetic acid is sourced from PubChem (CID 22169795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).