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

C4H4F3N3 — CID 22473210

IUPAC1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1cncn1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)1-10-3-8-2-9-10/h2-3H,1H2
InChIKeyDFFHCOVZFOJOAY-UHFFFAOYSA-N
MW151.09 g/mol
LogP0.84
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 22473210) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID22473210
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1cncn1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)1-10-3-8-2-9-10/h2-3H,1H2
InChIKeyDFFHCOVZFOJOAY-UHFFFAOYSA-N
XLogP0.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 22473210) is 1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-1,2,4-triazole is FC(F)(F)Cn1cncn1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is DFFHCOVZFOJOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c5-4(6,7)1-10-3-8-2-9-10/h2-3H,1H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 151.09 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 22473210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).