2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid

C13H11F2NO3 — CID 79838073

IUPAC2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(C(=O)O)c(F)c1F)c1ccco1
InChIInChI=1S/C13H11F2NO3/c1-7(10-3-2-6-19-10)16-9-5-4-8(13(17)18)11(14)12(9)15/h2-7,16H,1H3,(H,17,18)
InChIKeySTRGRIGWTPQGOJ-UHFFFAOYSA-N
MW267.23 g/mol
LogP3.43
Rot. Bonds4

About 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid

2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid (PubChem CID 79838073) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid
PubChem CID79838073
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(C(=O)O)c(F)c1F)c1ccco1
InChIInChI=1S/C13H11F2NO3/c1-7(10-3-2-6-19-10)16-9-5-4-8(13(17)18)11(14)12(9)15/h2-7,16H,1H3,(H,17,18)
InChIKeySTRGRIGWTPQGOJ-UHFFFAOYSA-N
XLogP3.43
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697
4-[1-(2-chlorophenyl)ethylamino]-2,3-difluorobenzoic acid
CID 79834693
3-chloro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 55182379
2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2,3-difluorobenzoic acid
CID 79838478
2,3-difluoro-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83187633
2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
CID 60989949
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2-bromo-3-fluoro-4-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 107540073
4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2,3-difluorobenzoic acid
CID 79837706
2-bromo-3-fluoro-4-[1-(5-methylfuran-2-yl)ethylamino]benzoic acid
CID 107540006

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid?
The IUPAC name of 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid (CID 79838073) is 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid?
The canonical SMILES for 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid is CC(Nc1ccc(C(=O)O)c(F)c1F)c1ccco1.
What is the InChIKey of 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid?
The InChIKey is STRGRIGWTPQGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c1-7(10-3-2-6-19-10)16-9-5-4-8(13(17)18)11(14)12(9)15/h2-7,16H,1H3,(H,17,18).
What are the key properties of 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid?
2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid has a molecular weight of 267.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid is sourced from PubChem (CID 79838073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).