1-(1-fluoroethyl)triazole

C4H6FN3 — CID 67337293

IUPAC1-(1-fluoroethyl)triazole
SMILESCC(F)n1ccnn1
InChIInChI=1S/C4H6FN3/c1-4(5)8-3-2-6-7-8/h2-4H,1H3
InChIKeyOPMOETWWQUSUHL-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.77
Rot. Bonds1

About 1-(1-fluoroethyl)triazole

1-(1-fluoroethyl)triazole (PubChem CID 67337293) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 1-(1-fluoroethyl)triazole.

Molecular Properties

Compound Name1-(1-fluoroethyl)triazole
PubChem CID67337293
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name1-(1-fluoroethyl)triazole
SMILESCC(F)n1ccnn1
InChIInChI=1S/C4H6FN3/c1-4(5)8-3-2-6-7-8/h2-4H,1H3
InChIKeyOPMOETWWQUSUHL-UHFFFAOYSA-N
XLogP0.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-1,2,3-triazole
CID 140119
1-ethenyl-1H-1,2,3-triazole
CID 11309474
1-butyl-1H-1,2,3-triazole
CID 11446322
2-(1H-1,2,3-Triazol-1-yl)ethanamine
CID 22561972
3-(1H-1,2,3-Triazol-1-yl)propanenitrile
CID 15568554
1H-1,2,3-Triazole-1-acetonitrile
CID 18002315
1-(2-bromoethyl)-1H-1,2,3-triazole
CID 25139710
4-bromo-1-ethyl-1H-1,2,3-triazole
CID 72218186
5-bromo-1-ethyl-1H-1,2,3-triazole
CID 72218190
4-iodo-1-methyl-1H-1,2,3-triazole
CID 89777727
1-(3-Iodoprop-2-ynyl)triazole
CID 497112
3-Trifluoromethyl triazole
CID 19370638

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)triazole?
The IUPAC name of 1-(1-fluoroethyl)triazole (CID 67337293) is 1-(1-fluoroethyl)triazole.
What is the SMILES notation for 1-(1-fluoroethyl)triazole?
The canonical SMILES for 1-(1-fluoroethyl)triazole is CC(F)n1ccnn1.
What is the InChIKey of 1-(1-fluoroethyl)triazole?
The InChIKey is OPMOETWWQUSUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-4(5)8-3-2-6-7-8/h2-4H,1H3.
What are the key properties of 1-(1-fluoroethyl)triazole?
1-(1-fluoroethyl)triazole has a molecular weight of 115.11 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)triazole is sourced from PubChem (CID 67337293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).