5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole

C14H9F3N4 — CID 855912

IUPAC5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2nnnc2-c2ccccc2)c1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)11-7-4-8-12(9-11)21-13(18-19-20-21)10-5-2-1-3-6-10/h1-9H
InChIKeyBBVLQUWXYNDRHR-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds2

About 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole

5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 855912) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID855912
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2nnnc2-c2ccccc2)c1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)11-7-4-8-12(9-11)21-13(18-19-20-21)10-5-2-1-3-6-10/h1-9H
InChIKeyBBVLQUWXYNDRHR-UHFFFAOYSA-N
XLogP3.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole (CID 855912) is 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1cccc(-n2nnnc2-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is BBVLQUWXYNDRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)11-7-4-8-12(9-11)21-13(18-19-20-21)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 290.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 855912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).