2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole

C6H9F3N4 — CID 69031383

IUPAC2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole
SMILESCC(C)Cn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-4(2)3-13-11-5(10-12-13)6(7,8)9/h4H,3H2,1-2H3
InChIKeyPZFISQVWURJGRV-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.35
Rot. Bonds2

About 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole

2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole (PubChem CID 69031383) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole
PubChem CID69031383
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole
SMILESCC(C)Cn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-4(2)3-13-11-5(10-12-13)6(7,8)9/h4H,3H2,1-2H3
InChIKeyPZFISQVWURJGRV-UHFFFAOYSA-N
XLogP1.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole (CID 69031383) is 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole is CC(C)Cn1nnc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is PZFISQVWURJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-4(2)3-13-11-5(10-12-13)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole?
2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 194.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69031383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).