2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid

C9H7FN4O2 — CID 67517239

IUPAC2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C9H7FN4O2/c10-7-3-6(4-9(15)16)1-2-8(7)14-5-11-12-13-14/h1-3,5H,4H2,(H,15,16)
InChIKeyVGHACAFFCORMAJ-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.43
Rot. Bonds3

About 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid

2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid (PubChem CID 67517239) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid
PubChem CID67517239
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C9H7FN4O2/c10-7-3-6(4-9(15)16)1-2-8(7)14-5-11-12-13-14/h1-3,5H,4H2,(H,15,16)
InChIKeyVGHACAFFCORMAJ-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid (CID 67517239) is 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid is O=C(O)Cc1ccc(-n2cnnn2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid?
The InChIKey is VGHACAFFCORMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-7-3-6(4-9(15)16)1-2-8(7)14-5-11-12-13-14/h1-3,5H,4H2,(H,15,16).
What are the key properties of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid?
2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid has a molecular weight of 222.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 67517239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).