2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid

C9H7FN4O2 — CID 972758

IUPAC2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKeyVYBGEGDYQAUDQP-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.56
Rot. Bonds3

About 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid

2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid (PubChem CID 972758) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid
PubChem CID972758
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKeyVYBGEGDYQAUDQP-UHFFFAOYSA-N
XLogP0.56
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid (CID 972758) is 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid?
The InChIKey is VYBGEGDYQAUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid?
2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid has a molecular weight of 222.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 972758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).