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

C14H9FN4O2 — CID 102429653

IUPAC2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1F
InChIInChI=1S/C14H9FN4O2/c15-12-7-10(5-6-11(12)14(20)21)8-1-3-9(4-2-8)13-16-18-19-17-13/h1-7H,(H,20,21)(H,16,17,18,19)
InChIKeyLDMMGGDYCCGKIZ-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.37
Rot. Bonds3

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

2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid (PubChem CID 102429653) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid
PubChem CID102429653
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1F
InChIInChI=1S/C14H9FN4O2/c15-12-7-10(5-6-11(12)14(20)21)8-1-3-9(4-2-8)13-16-18-19-17-13/h1-7H,(H,20,21)(H,16,17,18,19)
InChIKeyLDMMGGDYCCGKIZ-UHFFFAOYSA-N
XLogP2.37
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid (CID 102429653) is 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid?
The InChIKey is LDMMGGDYCCGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c15-12-7-10(5-6-11(12)14(20)21)8-1-3-9(4-2-8)13-16-18-19-17-13/h1-7H,(H,20,21)(H,16,17,18,19).
What are the key properties of 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid?
2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid has a molecular weight of 284.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid is sourced from PubChem (CID 102429653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).