5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

C4H4F3N3 — CID 67065776

IUPAC5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)Cc1ncn[nH]1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)1-3-8-2-9-10-3/h2H,1H2,(H,8,9,10)
InChIKeyVKPLPZZFNSVQKU-UHFFFAOYSA-N
MW151.09 g/mol
LogP0.91
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (PubChem CID 67065776) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
PubChem CID67065776
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)Cc1ncn[nH]1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)1-3-8-2-9-10-3/h2H,1H2,(H,8,9,10)
InChIKeyVKPLPZZFNSVQKU-UHFFFAOYSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (CID 67065776) is 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is FC(F)(F)Cc1ncn[nH]1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The InChIKey is VKPLPZZFNSVQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c5-4(6,7)1-3-8-2-9-10-3/h2H,1H2,(H,8,9,10).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole has a molecular weight of 151.09 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67065776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).