2-(4-fluoro-2-iodoanilino)acetic acid

C8H7FINO2 — CID 79769086

IUPAC2-(4-fluoro-2-iodoanilino)acetic acid
SMILESO=C(O)CNc1ccc(F)cc1I
InChIInChI=1S/C8H7FINO2/c9-5-1-2-7(6(10)3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyHBMGLSXQHSYNDJ-UHFFFAOYSA-N
MW295.05 g/mol
LogP1.93
Rot. Bonds3

About 2-(4-fluoro-2-iodoanilino)acetic acid

2-(4-fluoro-2-iodoanilino)acetic acid (PubChem CID 79769086) has the molecular formula C8H7FINO2 and a molecular weight of 295.05 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)acetic acid
PubChem CID79769086
Molecular FormulaC8H7FINO2
Molecular Weight295.05 g/mol
Exact Mass294.95
IUPAC Name2-(4-fluoro-2-iodoanilino)acetic acid
SMILESO=C(O)CNc1ccc(F)cc1I
InChIInChI=1S/C8H7FINO2/c9-5-1-2-7(6(10)3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyHBMGLSXQHSYNDJ-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175
3-(4-fluoro-2-iodoanilino)-2,2-dimethylpropanoic acid
CID 79768427
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
2-(carboxymethylamino)-4-fluorobenzoic acid
CID 19907325
N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline
CID 79769670
4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
CID 79769171
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
4-[(4-fluoro-2-iodophenyl)carbamoylamino]butanoic acid
CID 79766348

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)acetic acid?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)acetic acid (CID 79769086) is 2-(4-fluoro-2-iodoanilino)acetic acid.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)acetic acid?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)acetic acid is O=C(O)CNc1ccc(F)cc1I.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)acetic acid?
The InChIKey is HBMGLSXQHSYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FINO2/c9-5-1-2-7(6(10)3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-(4-fluoro-2-iodoanilino)acetic acid?
2-(4-fluoro-2-iodoanilino)acetic acid has a molecular weight of 295.05 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodoanilino)acetic acid is sourced from PubChem (CID 79769086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).