3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid

C11H11FN4O2 — CID 66041228

IUPAC3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1ccccc1F
InChIInChI=1S/C11H11FN4O2/c1-7(6-10(17)18)16-11(13-14-15-16)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyOEZKKQPAUUXLGD-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.51
Rot. Bonds4

About 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid

3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid (PubChem CID 66041228) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid
PubChem CID66041228
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1ccccc1F
InChIInChI=1S/C11H11FN4O2/c1-7(6-10(17)18)16-11(13-14-15-16)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyOEZKKQPAUUXLGD-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid (CID 66041228) is 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)n1nnnc1-c1ccccc1F.
What is the InChIKey of 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is OEZKKQPAUUXLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-7(6-10(17)18)16-11(13-14-15-16)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid?
3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66041228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).