4-ethyl-1-(fluoromethyl)triazole

C5H8FN3 — CID 89457557

IUPAC4-ethyl-1-(fluoromethyl)triazole
SMILESCCc1cn(CF)nn1
InChIInChI=1S/C5H8FN3/c1-2-5-3-9(4-6)8-7-5/h3H,2,4H2,1H3
InChIKeyLYYDBOJRAOIVOU-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.77
Rot. Bonds2

About 4-ethyl-1-(fluoromethyl)triazole

4-ethyl-1-(fluoromethyl)triazole (PubChem CID 89457557) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-ethyl-1-(fluoromethyl)triazole.

Molecular Properties

Compound Name4-ethyl-1-(fluoromethyl)triazole
PubChem CID89457557
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name4-ethyl-1-(fluoromethyl)triazole
SMILESCCc1cn(CF)nn1
InChIInChI=1S/C5H8FN3/c1-2-5-3-9(4-6)8-7-5/h3H,2,4H2,1H3
InChIKeyLYYDBOJRAOIVOU-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

bis(1,4-diethyltriazole);ethane
CID 160569546
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
ethane;4-ethyl-1-methyltriazole
CID 143593274
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 146611459
bis(1,4-diethyltriazole);1,5-diethyltriazole
CID 160908839
deuterio(fluoro)methane;1-[3-[2-(4-ethyltriazol-1-yl)ethyl]-5-(4-methyltriazol-1-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]pentyl]-4-methyltriazole;4-methyl-1-[5-(4-methyltriazol-1-yl)-3,3-bis[2-(4-methyltriazol-1-yl)ethyl]pentyl]triazole
CID 167589361
1-[(4-ethyltriazol-1-yl)methyl]-4-propan-2-ylpiperidine
CID 176985939
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
4-(bromomethyl)-1-ethyltriazole
CID 62400485

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(fluoromethyl)triazole?
The IUPAC name of 4-ethyl-1-(fluoromethyl)triazole (CID 89457557) is 4-ethyl-1-(fluoromethyl)triazole.
What is the SMILES notation for 4-ethyl-1-(fluoromethyl)triazole?
The canonical SMILES for 4-ethyl-1-(fluoromethyl)triazole is CCc1cn(CF)nn1.
What is the InChIKey of 4-ethyl-1-(fluoromethyl)triazole?
The InChIKey is LYYDBOJRAOIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-2-5-3-9(4-6)8-7-5/h3H,2,4H2,1H3.
What are the key properties of 4-ethyl-1-(fluoromethyl)triazole?
4-ethyl-1-(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 4-ethyl-1-(fluoromethyl)triazole is sourced from PubChem (CID 89457557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).