4-(difluoromethyl)-2-methyltriazole

C4H5F2N3 — CID 67726154

IUPAC4-(difluoromethyl)-2-methyltriazole
SMILESCn1ncc(C(F)F)n1
InChIInChI=1S/C4H5F2N3/c1-9-7-2-3(8-9)4(5)6/h2,4H,1H3
InChIKeyWJFXXVMKYNJSOQ-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.75
Rot. Bonds1

About 4-(difluoromethyl)-2-methyltriazole

4-(difluoromethyl)-2-methyltriazole (PubChem CID 67726154) has the molecular formula C4H5F2N3 and a molecular weight of 133.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyltriazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyltriazole
PubChem CID67726154
Molecular FormulaC4H5F2N3
Molecular Weight133.10 g/mol
Exact Mass133.05
IUPAC Name4-(difluoromethyl)-2-methyltriazole
SMILESCn1ncc(C(F)F)n1
InChIInChI=1S/C4H5F2N3/c1-9-7-2-3(8-9)4(5)6/h2,4H,1H3
InChIKeyWJFXXVMKYNJSOQ-UHFFFAOYSA-N
XLogP0.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)-1H-1,2,3-triazole
CID 22600922
4-(Bromomethyl)-2-methyl-2H-1,2,3-triazole
CID 68964739
5-(Trifluoromethyl)triazole-3-thiol
CID 129763647
2,4-Dimethyl-2H-1,2,3-triazole
CID 13610389
1-Methyl-5-(trifluoromethyl)triazole
CID 14489355
1-Bromodifluoromethyltriazole
CID 129793033
(Hexafluoropropan-2-yl)-5-(trifluoromethyl)-2h-1,2,3-triazole
CID 129859725
2-Trimethylsilyl-4-trifluoromethyl-1,2,3-triazole
CID 129862111
4-(difluoromethyl)-2H-triazole
CID 53807971
4-(Trifluoromethyl)triazole-2-carbonitrile
CID 68617117
4-(fluoromethyl)-2H-triazole
CID 69108101
2-Methyl-4-(trifluoromethyl)triazole
CID 89003292

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyltriazole?
The IUPAC name of 4-(difluoromethyl)-2-methyltriazole (CID 67726154) is 4-(difluoromethyl)-2-methyltriazole.
What is the SMILES notation for 4-(difluoromethyl)-2-methyltriazole?
The canonical SMILES for 4-(difluoromethyl)-2-methyltriazole is Cn1ncc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-methyltriazole?
The InChIKey is WJFXXVMKYNJSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3/c1-9-7-2-3(8-9)4(5)6/h2,4H,1H3.
What are the key properties of 4-(difluoromethyl)-2-methyltriazole?
4-(difluoromethyl)-2-methyltriazole has a molecular weight of 133.10 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyltriazole is sourced from PubChem (CID 67726154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).