5-(2,5-difluoroanilino)furan-2-carboxylic acid

C11H7F2NO3 — CID 55050182

IUPAC5-(2,5-difluoroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(F)ccc2F)o1
InChIInChI=1S/C11H7F2NO3/c12-6-1-2-7(13)8(5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyGSHRXZMGHZLYLV-UHFFFAOYSA-N
MW239.18 g/mol
LogP3.00
Rot. Bonds3

About 5-(2,5-difluoroanilino)furan-2-carboxylic acid

5-(2,5-difluoroanilino)furan-2-carboxylic acid (PubChem CID 55050182) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-(2,5-difluoroanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-difluoroanilino)furan-2-carboxylic acid
PubChem CID55050182
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name5-(2,5-difluoroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(F)ccc2F)o1
InChIInChI=1S/C11H7F2NO3/c12-6-1-2-7(13)8(5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyGSHRXZMGHZLYLV-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-{[(Tert-butoxy)carbonyl]amino}furan-2-carboxylic acid
CID 54775310
[2-(2,4-Difluoroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2428701
Methyl 5-[(4-fluorobenzoyl)amino]-2-furoate
CID 2767873
6-oxo-4-(trifluoromethyl)-6H,7H-furo[2,3-b]pyridine-2-carboxylic acid
CID 25497594
Stk367443
CID 3798771
furan-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 310700
2-Furylmethyl 3-fluorophenylcarbamate
CID 310944
2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 5-nitro-2-furancarboxylate
CID 2404612
N-(4-fluorophenyl)-5-(hydroxyamino)furan-2-carboxamide
CID 88275448
N-(4-fluorophenyl)-5-(oxidoamino)furan-2-carboxamide
CID 143034394
N-(4-fluorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 178973555
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-nitrofuran-2-carboxylate
CID 2088077

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoroanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(2,5-difluoroanilino)furan-2-carboxylic acid (CID 55050182) is 5-(2,5-difluoroanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,5-difluoroanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,5-difluoroanilino)furan-2-carboxylic acid is O=C(O)c1ccc(Nc2cc(F)ccc2F)o1.
What is the InChIKey of 5-(2,5-difluoroanilino)furan-2-carboxylic acid?
The InChIKey is GSHRXZMGHZLYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c12-6-1-2-7(13)8(5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-(2,5-difluoroanilino)furan-2-carboxylic acid?
5-(2,5-difluoroanilino)furan-2-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoroanilino)furan-2-carboxylic acid is sourced from PubChem (CID 55050182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).