2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid

C8H5FN4O2 — CID 67050019

IUPAC2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C8H5FN4O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,(H,14,15)(H,10,11,12,13)
InChIKeyWZADURDEXDTRDQ-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.70
Rot. Bonds2

About 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid

2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid (PubChem CID 67050019) has the molecular formula C8H5FN4O2 and a molecular weight of 208.15 g/mol. Its IUPAC name is 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid
PubChem CID67050019
Molecular FormulaC8H5FN4O2
Molecular Weight208.15 g/mol
Exact Mass208.04
IUPAC Name2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C8H5FN4O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,(H,14,15)(H,10,11,12,13)
InChIKeyWZADURDEXDTRDQ-UHFFFAOYSA-N
XLogP0.70
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid (CID 67050019) is 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid is O=C(O)c1ccc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid?
The InChIKey is WZADURDEXDTRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,(H,14,15)(H,10,11,12,13).
What are the key properties of 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid?
2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid has a molecular weight of 208.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid is sourced from PubChem (CID 67050019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).