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

C10H9FN4O2 — CID 82291536

IUPAC3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnn(-c2cccc(F)c2)n1
InChIInChI=1S/C10H9FN4O2/c11-7-2-1-3-8(6-7)15-13-9(12-14-15)4-5-10(16)17/h1-3,6H,4-5H2,(H,16,17)
InChIKeyXAIWQOVBBHDMMI-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.82
Rot. Bonds4

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

3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid (PubChem CID 82291536) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid
PubChem CID82291536
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnn(-c2cccc(F)c2)n1
InChIInChI=1S/C10H9FN4O2/c11-7-2-1-3-8(6-7)15-13-9(12-14-15)4-5-10(16)17/h1-3,6H,4-5H2,(H,16,17)
InChIKeyXAIWQOVBBHDMMI-UHFFFAOYSA-N
XLogP0.82
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid (CID 82291536) is 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid is O=C(O)CCc1nnn(-c2cccc(F)c2)n1.
What is the InChIKey of 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid?
The InChIKey is XAIWQOVBBHDMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c11-7-2-1-3-8(6-7)15-13-9(12-14-15)4-5-10(16)17/h1-3,6H,4-5H2,(H,16,17).
What are the key properties of 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid?
3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid has a molecular weight of 236.21 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid is sourced from PubChem (CID 82291536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).