2-(difluoromethyl)-5-methyltetrazole

C3H4F2N4 — CID 20644904

IUPAC2-(difluoromethyl)-5-methyltetrazole
SMILESCc1nnn(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c1-2-6-8-9(7-2)3(4)5/h3H,1H3
InChIKeyOPOJPUIZXTZODO-UHFFFAOYSA-N
MW134.09 g/mol
LogP0.38
Rot. Bonds1

About 2-(difluoromethyl)-5-methyltetrazole

2-(difluoromethyl)-5-methyltetrazole (PubChem CID 20644904) has the molecular formula C3H4F2N4 and a molecular weight of 134.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyltetrazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyltetrazole
PubChem CID20644904
Molecular FormulaC3H4F2N4
Molecular Weight134.09 g/mol
Exact Mass134.04
IUPAC Name2-(difluoromethyl)-5-methyltetrazole
SMILESCc1nnn(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c1-2-6-8-9(7-2)3(4)5/h3H,1H3
InChIKeyOPOJPUIZXTZODO-UHFFFAOYSA-N
XLogP0.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyltetrazole?
The IUPAC name of 2-(difluoromethyl)-5-methyltetrazole (CID 20644904) is 2-(difluoromethyl)-5-methyltetrazole.
What is the SMILES notation for 2-(difluoromethyl)-5-methyltetrazole?
The canonical SMILES for 2-(difluoromethyl)-5-methyltetrazole is Cc1nnn(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-5-methyltetrazole?
The InChIKey is OPOJPUIZXTZODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2N4/c1-2-6-8-9(7-2)3(4)5/h3H,1H3.
What are the key properties of 2-(difluoromethyl)-5-methyltetrazole?
2-(difluoromethyl)-5-methyltetrazole has a molecular weight of 134.09 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyltetrazole is sourced from PubChem (CID 20644904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).