5-phenyl-5-(trifluoromethyl)tetrazole

C8H5F3N4 — CID 69382702

IUPAC5-phenyl-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)C1(c2ccccc2)N=NN=N1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7(12-14-15-13-7)6-4-2-1-3-5-6/h1-5H
InChIKeyAGYKKDDKYZNWEM-UHFFFAOYSA-N
MW214.15 g/mol
LogP3.23
Rot. Bonds1

About 5-phenyl-5-(trifluoromethyl)tetrazole

5-phenyl-5-(trifluoromethyl)tetrazole (PubChem CID 69382702) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-phenyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name5-phenyl-5-(trifluoromethyl)tetrazole
PubChem CID69382702
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name5-phenyl-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)C1(c2ccccc2)N=NN=N1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7(12-14-15-13-7)6-4-2-1-3-5-6/h1-5H
InChIKeyAGYKKDDKYZNWEM-UHFFFAOYSA-N
XLogP3.23
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 5-phenyl-5-(trifluoromethyl)tetrazole (CID 69382702) is 5-phenyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 5-phenyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 5-phenyl-5-(trifluoromethyl)tetrazole is FC(F)(F)C1(c2ccccc2)N=NN=N1.
What is the InChIKey of 5-phenyl-5-(trifluoromethyl)tetrazole?
The InChIKey is AGYKKDDKYZNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)7(12-14-15-13-7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-phenyl-5-(trifluoromethyl)tetrazole?
5-phenyl-5-(trifluoromethyl)tetrazole has a molecular weight of 214.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69382702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).