2-[(4-fluorophenyl)methyl]-5-phenyltetrazole

C14H11FN4 — CID 1331234

IUPAC2-[(4-fluorophenyl)methyl]-5-phenyltetrazole
SMILESFc1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11FN4/c15-13-8-6-11(7-9-13)10-19-17-14(16-18-19)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVIDAFAVQGIUUNY-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.53
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole

2-[(4-fluorophenyl)methyl]-5-phenyltetrazole (PubChem CID 1331234) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-phenyltetrazole
PubChem CID1331234
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name2-[(4-fluorophenyl)methyl]-5-phenyltetrazole
SMILESFc1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11FN4/c15-13-8-6-11(7-9-13)10-19-17-14(16-18-19)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVIDAFAVQGIUUNY-UHFFFAOYSA-N
XLogP2.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole (CID 1331234) is 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole is Fc1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole?
The InChIKey is VIDAFAVQGIUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-13-8-6-11(7-9-13)10-19-17-14(16-18-19)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole?
2-[(4-fluorophenyl)methyl]-5-phenyltetrazole has a molecular weight of 254.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-phenyltetrazole is sourced from PubChem (CID 1331234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).