1-(2-fluoroethyl)-1,2,4-triazole

C4H6FN3 — CID 18406854

IUPAC1-(2-fluoroethyl)-1,2,4-triazole
SMILESFCCn1cncn1
InChIInChI=1S/C4H6FN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
InChIKeyRQDMGGDDXVMRSF-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.25
Rot. Bonds2

About 1-(2-fluoroethyl)-1,2,4-triazole

1-(2-fluoroethyl)-1,2,4-triazole (PubChem CID 18406854) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-1,2,4-triazole
PubChem CID18406854
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name1-(2-fluoroethyl)-1,2,4-triazole
SMILESFCCn1cncn1
InChIInChI=1S/C4H6FN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
InChIKeyRQDMGGDDXVMRSF-UHFFFAOYSA-N
XLogP0.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
10-(1,2,4-triazol-1-yl)decan-1-amine
CID 19742667
1,2,4-triazol-1-ylmethylsilane
CID 123456022
1,2,4-triazol-1-ylmethylphosphane
CID 67877171
1-(2-ethylsulfanylethyl)-1,2,4-triazole
CID 115773467
1-(4,4-dimethylpentyl)-1,2,4-triazole
CID 59119249
1-(3-methylsulfanylpropyl)-1,2,4-triazole
CID 115651022
2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol
CID 162384997
1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole
CID 156564000
N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine
CID 62449237
2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanenitrile
CID 65251808

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-1,2,4-triazole?
The IUPAC name of 1-(2-fluoroethyl)-1,2,4-triazole (CID 18406854) is 1-(2-fluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-fluoroethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-fluoroethyl)-1,2,4-triazole is FCCn1cncn1.
What is the InChIKey of 1-(2-fluoroethyl)-1,2,4-triazole?
The InChIKey is RQDMGGDDXVMRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2.
What are the key properties of 1-(2-fluoroethyl)-1,2,4-triazole?
1-(2-fluoroethyl)-1,2,4-triazole has a molecular weight of 115.11 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 18406854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).