4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid

C13H9FN4O3 — CID 107452093

IUPAC4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(Cn2nnc(-c3ccco3)n2)c1
InChIInChI=1S/C13H9FN4O3/c14-10-4-3-8(13(19)20)6-9(10)7-18-16-12(15-17-18)11-2-1-5-21-11/h1-6H,7H2,(H,19,20)
InChIKeyLRCOAXCTEWQVEE-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.82
Rot. Bonds4

About 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid

4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid (PubChem CID 107452093) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid
PubChem CID107452093
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(Cn2nnc(-c3ccco3)n2)c1
InChIInChI=1S/C13H9FN4O3/c14-10-4-3-8(13(19)20)6-9(10)7-18-16-12(15-17-18)11-2-1-5-21-11/h1-6H,7H2,(H,19,20)
InChIKeyLRCOAXCTEWQVEE-UHFFFAOYSA-N
XLogP1.82
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid (CID 107452093) is 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid is O=C(O)c1ccc(F)c(Cn2nnc(-c3ccco3)n2)c1.
What is the InChIKey of 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
The InChIKey is LRCOAXCTEWQVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c14-10-4-3-8(13(19)20)6-9(10)7-18-16-12(15-17-18)11-2-1-5-21-11/h1-6H,7H2,(H,19,20).
What are the key properties of 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid has a molecular weight of 288.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 107452093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).