2-imino-2-(2,4,5-trifluorophenyl)acetic acid

C8H4F3NO2 — CID 175792577

IUPAC2-imino-2-(2,4,5-trifluorophenyl)acetic acid
SMILES[H]/N=C(\C(=O)O)c1cc(F)c(F)cc1F
InChIInChI=1S/C8H4F3NO2/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,12H,(H,13,14)/b12-7-
InChIKeyXOLQHXDOADMPCX-GHXNOFRVSA-N
MW203.12 g/mol
LogP1.56
Rot. Bonds2

About 2-imino-2-(2,4,5-trifluorophenyl)acetic acid

2-imino-2-(2,4,5-trifluorophenyl)acetic acid (PubChem CID 175792577) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-imino-2-(2,4,5-trifluorophenyl)acetic acid.

Molecular Properties

Compound Name2-imino-2-(2,4,5-trifluorophenyl)acetic acid
PubChem CID175792577
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name2-imino-2-(2,4,5-trifluorophenyl)acetic acid
SMILES[H]/N=C(\C(=O)O)c1cc(F)c(F)cc1F
InChIInChI=1S/C8H4F3NO2/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,12H,(H,13,14)/b12-7-
InChIKeyXOLQHXDOADMPCX-GHXNOFRVSA-N
XLogP1.56
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-(2,4,5-trifluorophenyl)acetic acid?
The IUPAC name of 2-imino-2-(2,4,5-trifluorophenyl)acetic acid (CID 175792577) is 2-imino-2-(2,4,5-trifluorophenyl)acetic acid.
What is the SMILES notation for 2-imino-2-(2,4,5-trifluorophenyl)acetic acid?
The canonical SMILES for 2-imino-2-(2,4,5-trifluorophenyl)acetic acid is [H]/N=C(\C(=O)O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-imino-2-(2,4,5-trifluorophenyl)acetic acid?
The InChIKey is XOLQHXDOADMPCX-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,12H,(H,13,14)/b12-7-.
What are the key properties of 2-imino-2-(2,4,5-trifluorophenyl)acetic acid?
2-imino-2-(2,4,5-trifluorophenyl)acetic acid has a molecular weight of 203.12 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-(2,4,5-trifluorophenyl)acetic acid is sourced from PubChem (CID 175792577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).