(4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate

C15H11FN4O2 — CID 7500789

IUPAC(4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H11FN4O2/c16-13-5-1-11(2-6-13)9-22-15(21)12-3-7-14(8-4-12)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyMKIVANIPFRKPBY-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.16
Rot. Bonds4

About (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate

(4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate (PubChem CID 7500789) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate
PubChem CID7500789
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name(4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H11FN4O2/c16-13-5-1-11(2-6-13)9-22-15(21)12-3-7-14(8-4-12)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyMKIVANIPFRKPBY-UHFFFAOYSA-N
XLogP2.16
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate?
The IUPAC name of (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate (CID 7500789) is (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate is O=C(OCc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate?
The InChIKey is MKIVANIPFRKPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-13-5-1-11(2-6-13)9-22-15(21)12-3-7-14(8-4-12)20-10-17-18-19-20/h1-8,10H,9H2.
What are the key properties of (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate?
(4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate has a molecular weight of 298.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7500789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).