5-(difluoromethyl)-2-methyltetrazole

C3H4F2N4 — CID 59530005

IUPAC5-(difluoromethyl)-2-methyltetrazole
SMILESCn1nnc(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c1-9-7-3(2(4)5)6-8-9/h2H,1H3
InChIKeyNXCDXXJZLYFJJQ-UHFFFAOYSA-N
MW134.09 g/mol
LogP0.15
Rot. Bonds1

About 5-(difluoromethyl)-2-methyltetrazole

5-(difluoromethyl)-2-methyltetrazole (PubChem CID 59530005) has the molecular formula C3H4F2N4 and a molecular weight of 134.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyltetrazole
PubChem CID59530005
Molecular FormulaC3H4F2N4
Molecular Weight134.09 g/mol
Exact Mass134.04
IUPAC Name5-(difluoromethyl)-2-methyltetrazole
SMILESCn1nnc(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c1-9-7-3(2(4)5)6-8-9/h2H,1H3
InChIKeyNXCDXXJZLYFJJQ-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-tetrazole, 2,5-dimethyl-
CID 138128
2-Methyl-5-(trifluoromethyl)tetrazole
CID 285144
2-(2-Fluoroethyl)-5-methyltetrazole
CID 20644902
2-(3-Fluoropropyl)-5-methyltetrazole
CID 20644903
2-(Difluoromethyl)-5-methyltetrazole
CID 20644904
2-Ethyl-5-(trifluoromethyl)tetrazole
CID 57940538
2-(Difluoromethyl)-5-ethyltetrazole
CID 59058902
5-(1,1-Difluoroethyl)-2-methyltetrazole
CID 68169564
5-Ethyl-2-(trifluoromethyl)tetrazole
CID 69030417
5-Propyl-2-(trifluoromethyl)tetrazole
CID 69030635
2-Propyl-5-(trifluoromethyl)tetrazole
CID 69031487
2-Butyl-5-(trifluoromethyl)tetrazole
CID 69031619

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyltetrazole?
The IUPAC name of 5-(difluoromethyl)-2-methyltetrazole (CID 59530005) is 5-(difluoromethyl)-2-methyltetrazole.
What is the SMILES notation for 5-(difluoromethyl)-2-methyltetrazole?
The canonical SMILES for 5-(difluoromethyl)-2-methyltetrazole is Cn1nnc(C(F)F)n1.
What is the InChIKey of 5-(difluoromethyl)-2-methyltetrazole?
The InChIKey is NXCDXXJZLYFJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2N4/c1-9-7-3(2(4)5)6-8-9/h2H,1H3.
What are the key properties of 5-(difluoromethyl)-2-methyltetrazole?
5-(difluoromethyl)-2-methyltetrazole has a molecular weight of 134.09 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyltetrazole is sourced from PubChem (CID 59530005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).