4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid

C15H11FN4O2 — CID 972505

IUPAC4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C15H11FN4O2/c16-13-4-2-1-3-12(13)9-20-18-14(17-19-20)10-5-7-11(8-6-10)15(21)22/h1-8H,9H2,(H,21,22)
InChIKeyOFSQCVVIRPDWRO-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.23
Rot. Bonds4

About 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid

4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid (PubChem CID 972505) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid
PubChem CID972505
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C15H11FN4O2/c16-13-4-2-1-3-12(13)9-20-18-14(17-19-20)10-5-7-11(8-6-10)15(21)22/h1-8H,9H2,(H,21,22)
InChIKeyOFSQCVVIRPDWRO-UHFFFAOYSA-N
XLogP2.23
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid?
The IUPAC name of 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid (CID 972505) is 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid is O=C(O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1.
What is the InChIKey of 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid?
The InChIKey is OFSQCVVIRPDWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-13-4-2-1-3-12(13)9-20-18-14(17-19-20)10-5-7-11(8-6-10)15(21)22/h1-8H,9H2,(H,21,22).
What are the key properties of 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid?
4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid has a molecular weight of 298.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid is sourced from PubChem (CID 972505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).