5-fluoro-2-(2-fluoroanilino)benzoic acid

C13H9F2NO2 — CID 82296808

IUPAC5-fluoro-2-(2-fluoroanilino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1ccccc1F
InChIInChI=1S/C13H9F2NO2/c14-8-5-6-11(9(7-8)13(17)18)16-12-4-2-1-3-10(12)15/h1-7,16H,(H,17,18)
InChIKeyDWBBUXSRHXDNHL-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.41
Rot. Bonds3

About 5-fluoro-2-(2-fluoroanilino)benzoic acid

5-fluoro-2-(2-fluoroanilino)benzoic acid (PubChem CID 82296808) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoroanilino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoroanilino)benzoic acid
PubChem CID82296808
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-fluoro-2-(2-fluoroanilino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1ccccc1F
InChIInChI=1S/C13H9F2NO2/c14-8-5-6-11(9(7-8)13(17)18)16-12-4-2-1-3-10(12)15/h1-7,16H,(H,17,18)
InChIKeyDWBBUXSRHXDNHL-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

2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
2-(3,5-difluoroanilino)-5-fluorobenzoic acid
CID 82535820
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-(2-fluoroanilino)-4-phenylbenzoic acid
CID 68958907
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
2-(2,3,5-trifluoroanilino)benzoic acid
CID 62813738
2-(benzhydrylamino)-5-fluorobenzoic acid
CID 71762912
2-(4-chloro-2-nitroanilino)-5-fluorobenzoic acid
CID 139392419
5-fluoro-2-(quinolin-3-ylamino)benzoic acid
CID 82535805
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
4-(2-fluoroanilino)benzoic acid
CID 62231206

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoroanilino)benzoic acid?
The IUPAC name of 5-fluoro-2-(2-fluoroanilino)benzoic acid (CID 82296808) is 5-fluoro-2-(2-fluoroanilino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-fluoroanilino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2-fluoroanilino)benzoic acid is O=C(O)c1cc(F)ccc1Nc1ccccc1F.
What is the InChIKey of 5-fluoro-2-(2-fluoroanilino)benzoic acid?
The InChIKey is DWBBUXSRHXDNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-8-5-6-11(9(7-8)13(17)18)16-12-4-2-1-3-10(12)15/h1-7,16H,(H,17,18).
What are the key properties of 5-fluoro-2-(2-fluoroanilino)benzoic acid?
5-fluoro-2-(2-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 5-fluoro-2-(2-fluoroanilino)benzoic acid is sourced from PubChem (CID 82296808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).