5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid

C13H9FN4O3 — CID 84759076

IUPAC5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2nnnc2-c2ccccc2F)o1
InChIInChI=1S/C13H9FN4O3/c14-10-4-2-1-3-9(10)12-15-16-17-18(12)7-8-5-6-11(21-8)13(19)20/h1-6H,7H2,(H,19,20)
InChIKeyCFYNAWKJBZPTLB-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.82
Rot. Bonds4

About 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid

5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 84759076) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
PubChem CID84759076
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2nnnc2-c2ccccc2F)o1
InChIInChI=1S/C13H9FN4O3/c14-10-4-2-1-3-9(10)12-15-16-17-18(12)7-8-5-6-11(21-8)13(19)20/h1-6H,7H2,(H,19,20)
InChIKeyCFYNAWKJBZPTLB-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

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Related Compounds

5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
CID 84758881
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
5-[(5-phenyltriazol-1-yl)methyl]furan-2-carboxylic acid
CID 82221917
5-[(6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 62851184
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid
CID 81461870
5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
CID 67685145
2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 23607728
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
CID 17024853
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
CID 63933619

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid (CID 84759076) is 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2nnnc2-c2ccccc2F)o1.
What is the InChIKey of 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is CFYNAWKJBZPTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c14-10-4-2-1-3-9(10)12-15-16-17-18(12)7-8-5-6-11(21-8)13(19)20/h1-6H,7H2,(H,19,20).
What are the key properties of 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic 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 5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 84759076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).