5-ethyl-2-(trifluoromethyl)tetrazole

C4H5F3N4 — CID 69030417

IUPAC5-ethyl-2-(trifluoromethyl)tetrazole
SMILESCCc1nnn(C(F)(F)F)n1
InChIInChI=1S/C4H5F3N4/c1-2-3-8-10-11(9-3)4(5,6)7/h2H2,1H3
InChIKeyOPIHCLFUXBLCAV-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.71
Rot. Bonds1

About 5-ethyl-2-(trifluoromethyl)tetrazole

5-ethyl-2-(trifluoromethyl)tetrazole (PubChem CID 69030417) has the molecular formula C4H5F3N4 and a molecular weight of 166.11 g/mol. Its IUPAC name is 5-ethyl-2-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-2-(trifluoromethyl)tetrazole
PubChem CID69030417
Molecular FormulaC4H5F3N4
Molecular Weight166.11 g/mol
Exact Mass166.05
IUPAC Name5-ethyl-2-(trifluoromethyl)tetrazole
SMILESCCc1nnn(C(F)(F)F)n1
InChIInChI=1S/C4H5F3N4/c1-2-3-8-10-11(9-3)4(5,6)7/h2H2,1H3
InChIKeyOPIHCLFUXBLCAV-UHFFFAOYSA-N
XLogP0.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(trifluoromethyl)tetrazole?
The IUPAC name of 5-ethyl-2-(trifluoromethyl)tetrazole (CID 69030417) is 5-ethyl-2-(trifluoromethyl)tetrazole.
What is the SMILES notation for 5-ethyl-2-(trifluoromethyl)tetrazole?
The canonical SMILES for 5-ethyl-2-(trifluoromethyl)tetrazole is CCc1nnn(C(F)(F)F)n1.
What is the InChIKey of 5-ethyl-2-(trifluoromethyl)tetrazole?
The InChIKey is OPIHCLFUXBLCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N4/c1-2-3-8-10-11(9-3)4(5,6)7/h2H2,1H3.
What are the key properties of 5-ethyl-2-(trifluoromethyl)tetrazole?
5-ethyl-2-(trifluoromethyl)tetrazole has a molecular weight of 166.11 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69030417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).