2-ethyl-4-(fluoromethyl)triazole

C5H8FN3 — CID 141182623

IUPAC2-ethyl-4-(fluoromethyl)triazole
SMILESCCn1ncc(CF)n1
InChIInChI=1S/C5H8FN3/c1-2-9-7-4-5(3-6)8-9/h4H,2-3H2,1H3
InChIKeyMLWQWVGHTRWKLR-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.77
Rot. Bonds2

About 2-ethyl-4-(fluoromethyl)triazole

2-ethyl-4-(fluoromethyl)triazole (PubChem CID 141182623) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 2-ethyl-4-(fluoromethyl)triazole.

Molecular Properties

Compound Name2-ethyl-4-(fluoromethyl)triazole
PubChem CID141182623
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name2-ethyl-4-(fluoromethyl)triazole
SMILESCCn1ncc(CF)n1
InChIInChI=1S/C5H8FN3/c1-2-9-7-4-5(3-6)8-9/h4H,2-3H2,1H3
InChIKeyMLWQWVGHTRWKLR-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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-ethyl-4-(fluoromethyl)triazole?
The IUPAC name of 2-ethyl-4-(fluoromethyl)triazole (CID 141182623) is 2-ethyl-4-(fluoromethyl)triazole.
What is the SMILES notation for 2-ethyl-4-(fluoromethyl)triazole?
The canonical SMILES for 2-ethyl-4-(fluoromethyl)triazole is CCn1ncc(CF)n1.
What is the InChIKey of 2-ethyl-4-(fluoromethyl)triazole?
The InChIKey is MLWQWVGHTRWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-2-9-7-4-5(3-6)8-9/h4H,2-3H2,1H3.
What are the key properties of 2-ethyl-4-(fluoromethyl)triazole?
2-ethyl-4-(fluoromethyl)triazole has a molecular weight of 129.14 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(fluoromethyl)triazole is sourced from PubChem (CID 141182623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).