3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid

C13H8F2INO2 — CID 79766985

IUPAC3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
SMILESO=C(O)c1cccc(F)c1Nc1ccc(F)cc1I
InChIInChI=1S/C13H8F2INO2/c14-7-4-5-11(10(16)6-7)17-12-8(13(18)19)2-1-3-9(12)15/h1-6,17H,(H,18,19)
InChIKeyTZMOGEUZCSGIPU-UHFFFAOYSA-N
MW375.11 g/mol
LogP4.01
Rot. Bonds3

About 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid

3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid (PubChem CID 79766985) has the molecular formula C13H8F2INO2 and a molecular weight of 375.11 g/mol. Its IUPAC name is 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
PubChem CID79766985
Molecular FormulaC13H8F2INO2
Molecular Weight375.11 g/mol
Exact Mass374.96
IUPAC Name3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
SMILESO=C(O)c1cccc(F)c1Nc1ccc(F)cc1I
InChIInChI=1S/C13H8F2INO2/c14-7-4-5-11(10(16)6-7)17-12-8(13(18)19)2-1-3-9(12)15/h1-6,17H,(H,18,19)
InChIKeyTZMOGEUZCSGIPU-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.11
LogP ≤ 54.01
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

3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766747
3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 63538858
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
2-(2,5-dimethylanilino)-3-fluorobenzoic acid
CID 63538460
2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 79768537
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2-(4-bromo-2,3-dichloroanilino)-3-fluorobenzoic acid
CID 107791147
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid?
The IUPAC name of 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid (CID 79766985) is 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid is O=C(O)c1cccc(F)c1Nc1ccc(F)cc1I.
What is the InChIKey of 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid?
The InChIKey is TZMOGEUZCSGIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2INO2/c14-7-4-5-11(10(16)6-7)17-12-8(13(18)19)2-1-3-9(12)15/h1-6,17H,(H,18,19).
What are the key properties of 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid?
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid has a molecular weight of 375.11 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid is sourced from PubChem (CID 79766985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).