5-(difluoromethyl)-1-(2-methylpropyl)tetrazole

C6H10F2N4 — CID 165138968

IUPAC5-(difluoromethyl)-1-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1nnnc1C(F)F
InChIInChI=1S/C6H10F2N4/c1-4(2)3-12-6(5(7)8)9-10-11-12/h4-5H,3H2,1-2H3
InChIKeyZHDVGAVFKMVTAG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.27
Rot. Bonds3

About 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole

5-(difluoromethyl)-1-(2-methylpropyl)tetrazole (PubChem CID 165138968) has the molecular formula C6H10F2N4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2-methylpropyl)tetrazole
PubChem CID165138968
Molecular FormulaC6H10F2N4
Molecular Weight176.17 g/mol
Exact Mass176.09
IUPAC Name5-(difluoromethyl)-1-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1nnnc1C(F)F
InChIInChI=1S/C6H10F2N4/c1-4(2)3-12-6(5(7)8)9-10-11-12/h4-5H,3H2,1-2H3
InChIKeyZHDVGAVFKMVTAG-UHFFFAOYSA-N
XLogP1.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
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-(difluoromethyl)-1-(2-methylpropyl)tetrazole?
The IUPAC name of 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole (CID 165138968) is 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole.
What is the SMILES notation for 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole?
The canonical SMILES for 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole is CC(C)Cn1nnnc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole?
The InChIKey is ZHDVGAVFKMVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4/c1-4(2)3-12-6(5(7)8)9-10-11-12/h4-5H,3H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole?
5-(difluoromethyl)-1-(2-methylpropyl)tetrazole has a molecular weight of 176.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2-methylpropyl)tetrazole is sourced from PubChem (CID 165138968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).