2-(2-fluoroethyl)-4-methyltriazole

C5H8FN3 — CID 157031859

IUPAC2-(2-fluoroethyl)-4-methyltriazole
SMILESCc1cnn(CCF)n1
InChIInChI=1S/C5H8FN3/c1-5-4-7-9(8-5)3-2-6/h4H,2-3H2,1H3
InChIKeyKQYLJMOMILFFPN-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.56
Rot. Bonds2

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

2-(2-fluoroethyl)-4-methyltriazole (PubChem CID 157031859) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-4-methyltriazole.

Molecular Properties

Compound Name2-(2-fluoroethyl)-4-methyltriazole
PubChem CID157031859
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name2-(2-fluoroethyl)-4-methyltriazole
SMILESCc1cnn(CCF)n1
InChIInChI=1S/C5H8FN3/c1-5-4-7-9(8-5)3-2-6/h4H,2-3H2,1H3
InChIKeyKQYLJMOMILFFPN-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-1,2,3-triazole
CID 12933420
(2-methyl-2H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 55284238
(2-methyl-2H-1,2,3-triazol-4-yl)methanamine
CID 55284239
(2-ethyl-2H-1,2,3-triazol-4-yl)methanamine
CID 68179807
4-(Bromomethyl)-2-methyl-2H-1,2,3-triazole
CID 68964739
2,4-Dimethyl-2H-1,2,3-triazole
CID 13610389
(Hexafluoropropan-2-yl)-5-(trifluoromethyl)-2h-1,2,3-triazole
CID 129859725
2-Trimethylsilyl-4-trifluoromethyl-1,2,3-triazole
CID 129862111
2-[(4-Methyltriazol-2-yl)methylidene]propanedinitrile
CID 12933422
Trimethyl-(4-methyltriazol-2-yl)silane
CID 129739818
4-(Difluoromethyl)-2-methyltriazole
CID 67726154
4-(Trifluoromethyl)triazole-2-carbonitrile
CID 68617117

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-4-methyltriazole?
The IUPAC name of 2-(2-fluoroethyl)-4-methyltriazole (CID 157031859) is 2-(2-fluoroethyl)-4-methyltriazole.
What is the SMILES notation for 2-(2-fluoroethyl)-4-methyltriazole?
The canonical SMILES for 2-(2-fluoroethyl)-4-methyltriazole is Cc1cnn(CCF)n1.
What is the InChIKey of 2-(2-fluoroethyl)-4-methyltriazole?
The InChIKey is KQYLJMOMILFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-5-4-7-9(8-5)3-2-6/h4H,2-3H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-4-methyltriazole?
2-(2-fluoroethyl)-4-methyltriazole has a molecular weight of 129.14 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-4-methyltriazole is sourced from PubChem (CID 157031859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).