5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole

C15H11F3N4 — CID 723303

IUPAC5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole
SMILESFC(F)(F)c1cccc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)13-8-4-5-11(9-13)10-22-20-14(19-21-22)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyPMEOCGVXFPYJHH-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.41
Rot. Bonds3

About 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole

5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole (PubChem CID 723303) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole.

Molecular Properties

Compound Name5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole
PubChem CID723303
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole
SMILESFC(F)(F)c1cccc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)13-8-4-5-11(9-13)10-22-20-14(19-21-22)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyPMEOCGVXFPYJHH-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole?
The IUPAC name of 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole (CID 723303) is 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole.
What is the SMILES notation for 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole?
The canonical SMILES for 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole is FC(F)(F)c1cccc(Cn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole?
The InChIKey is PMEOCGVXFPYJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c16-15(17,18)13-8-4-5-11(9-13)10-22-20-14(19-21-22)12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole?
5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole has a molecular weight of 304.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]tetrazole is sourced from PubChem (CID 723303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).