5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole

C16H12F2N4 — CID 14539528

IUPAC5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole
SMILESCn1nnnc1C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2N4/c1-22-16(19-20-21-22)10-15(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-10H,1H3
InChIKeyJBMMOXNLHYKUEG-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.08
Rot. Bonds3

About 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole

5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole (PubChem CID 14539528) has the molecular formula C16H12F2N4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole
PubChem CID14539528
Molecular FormulaC16H12F2N4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole
SMILESCn1nnnc1C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2N4/c1-22-16(19-20-21-22)10-15(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-10H,1H3
InChIKeyJBMMOXNLHYKUEG-UHFFFAOYSA-N
XLogP3.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole?
The IUPAC name of 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole (CID 14539528) is 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole.
What is the SMILES notation for 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole?
The canonical SMILES for 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole is Cn1nnnc1C=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole?
The InChIKey is JBMMOXNLHYKUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4/c1-22-16(19-20-21-22)10-15(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-10H,1H3.
What are the key properties of 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole?
5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole has a molecular weight of 298.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole is sourced from PubChem (CID 14539528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).