4-(2-fluoroethyl)-2-methyltriazole

C5H8FN3 — CID 89319491

IUPAC4-(2-fluoroethyl)-2-methyltriazole
SMILESCn1ncc(CCF)n1
InChIInChI=1S/C5H8FN3/c1-9-7-4-5(8-9)2-3-6/h4H,2-3H2,1H3
InChIKeyUBSGKAKQEUGRJF-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.33
Rot. Bonds2

About 4-(2-fluoroethyl)-2-methyltriazole

4-(2-fluoroethyl)-2-methyltriazole (PubChem CID 89319491) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2-methyltriazole.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2-methyltriazole
PubChem CID89319491
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name4-(2-fluoroethyl)-2-methyltriazole
SMILESCn1ncc(CCF)n1
InChIInChI=1S/C5H8FN3/c1-9-7-4-5(8-9)2-3-6/h4H,2-3H2,1H3
InChIKeyUBSGKAKQEUGRJF-UHFFFAOYSA-N
XLogP0.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoroethyl)-2H-triazole
CID 54306953
2,4-Dimethyl-2H-1,2,3-triazole
CID 13610389
4-ethyl-2H-1,2,3-Triazole
CID 14794987
5-Ethyl-1-fluorotriazole
CID 22506918
4-(1-fluoropropyl)-2H-triazole
CID 22506930
4-(1,1-difluoroethyl)-2H-triazole
CID 54414948
4-(2,2-difluoroethyl)-2H-triazole
CID 56984005
4-(Difluoromethyl)-2-methyltriazole
CID 67726154
4-(2,2,2-trifluoroethyl)-2H-triazole
CID 68154954
2-Methyl-4-(trifluoromethyl)triazole
CID 89003292
2-(Difluoromethyl)-4-methyltriazole
CID 90707653
4-(Fluoromethyl)-2-methyltriazole
CID 90727726

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2-methyltriazole?
The IUPAC name of 4-(2-fluoroethyl)-2-methyltriazole (CID 89319491) is 4-(2-fluoroethyl)-2-methyltriazole.
What is the SMILES notation for 4-(2-fluoroethyl)-2-methyltriazole?
The canonical SMILES for 4-(2-fluoroethyl)-2-methyltriazole is Cn1ncc(CCF)n1.
What is the InChIKey of 4-(2-fluoroethyl)-2-methyltriazole?
The InChIKey is UBSGKAKQEUGRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-9-7-4-5(8-9)2-3-6/h4H,2-3H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-2-methyltriazole?
4-(2-fluoroethyl)-2-methyltriazole has a molecular weight of 129.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2-methyltriazole is sourced from PubChem (CID 89319491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).