2-fluoro-6-(4-fluoroanilino)benzoic acid

C13H9F2NO2 — CID 82296803

IUPAC2-fluoro-6-(4-fluoroanilino)benzoic acid
SMILESO=C(O)c1c(F)cccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H9F2NO2/c14-8-4-6-9(7-5-8)16-11-3-1-2-10(15)12(11)13(17)18/h1-7,16H,(H,17,18)
InChIKeyIHBCSVCKDITVEG-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.41
Rot. Bonds3

About 2-fluoro-6-(4-fluoroanilino)benzoic acid

2-fluoro-6-(4-fluoroanilino)benzoic acid (PubChem CID 82296803) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-fluoro-6-(4-fluoroanilino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(4-fluoroanilino)benzoic acid
PubChem CID82296803
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-fluoro-6-(4-fluoroanilino)benzoic acid
SMILESO=C(O)c1c(F)cccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H9F2NO2/c14-8-4-6-9(7-5-8)16-11-3-1-2-10(15)12(11)13(17)18/h1-7,16H,(H,17,18)
InChIKeyIHBCSVCKDITVEG-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoroanilino)phthalic acid
CID 150630608
4-(2-carbamoyl-3-fluoroanilino)benzoic acid
CID 79513280
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
4-(2,3-difluoroanilino)benzoic acid
CID 62230863
4-(2-fluoroanilino)benzoic acid
CID 62231206
2-anilino-6-hydroxybenzoic acid
CID 154369183
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-benzamido-6-fluorobenzoic acid
CID 13389963
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638146

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-fluoroanilino)benzoic acid?
The IUPAC name of 2-fluoro-6-(4-fluoroanilino)benzoic acid (CID 82296803) is 2-fluoro-6-(4-fluoroanilino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(4-fluoroanilino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(4-fluoroanilino)benzoic acid is O=C(O)c1c(F)cccc1Nc1ccc(F)cc1.
What is the InChIKey of 2-fluoro-6-(4-fluoroanilino)benzoic acid?
The InChIKey is IHBCSVCKDITVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-8-4-6-9(7-5-8)16-11-3-1-2-10(15)12(11)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-fluoro-6-(4-fluoroanilino)benzoic acid?
2-fluoro-6-(4-fluoroanilino)benzoic acid has a molecular weight of 249.22 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-fluoroanilino)benzoic acid is sourced from PubChem (CID 82296803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).