5-propan-2-yl-2-(trifluoromethyl)tetrazole

C5H7F3N4 — CID 69029915

IUPAC5-propan-2-yl-2-(trifluoromethyl)tetrazole
SMILESCC(C)c1nnn(C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c1-3(2)4-9-11-12(10-4)5(6,7)8/h3H,1-2H3
InChIKeyVGYYIKKODBUWRB-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.27
Rot. Bonds1

About 5-propan-2-yl-2-(trifluoromethyl)tetrazole

5-propan-2-yl-2-(trifluoromethyl)tetrazole (PubChem CID 69029915) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(trifluoromethyl)tetrazole
PubChem CID69029915
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name5-propan-2-yl-2-(trifluoromethyl)tetrazole
SMILESCC(C)c1nnn(C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c1-3(2)4-9-11-12(10-4)5(6,7)8/h3H,1-2H3
InChIKeyVGYYIKKODBUWRB-UHFFFAOYSA-N
XLogP1.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)tetrazole?
The IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)tetrazole (CID 69029915) is 5-propan-2-yl-2-(trifluoromethyl)tetrazole.
What is the SMILES notation for 5-propan-2-yl-2-(trifluoromethyl)tetrazole?
The canonical SMILES for 5-propan-2-yl-2-(trifluoromethyl)tetrazole is CC(C)c1nnn(C(F)(F)F)n1.
What is the InChIKey of 5-propan-2-yl-2-(trifluoromethyl)tetrazole?
The InChIKey is VGYYIKKODBUWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c1-3(2)4-9-11-12(10-4)5(6,7)8/h3H,1-2H3.
What are the key properties of 5-propan-2-yl-2-(trifluoromethyl)tetrazole?
5-propan-2-yl-2-(trifluoromethyl)tetrazole has a molecular weight of 180.13 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69029915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).