1-(3,3,3-trifluoropropyl)-1,2,4-triazole

C5H6F3N3 — CID 64565759

IUPAC1-(3,3,3-trifluoropropyl)-1,2,4-triazole
SMILESFC(F)(F)CCn1cncn1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)1-2-11-4-9-3-10-11/h3-4H,1-2H2
InChIKeyABXPPQROPKURLD-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.23
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)-1,2,4-triazole

1-(3,3,3-trifluoropropyl)-1,2,4-triazole (PubChem CID 64565759) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)-1,2,4-triazole
PubChem CID64565759
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name1-(3,3,3-trifluoropropyl)-1,2,4-triazole
SMILESFC(F)(F)CCn1cncn1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)1-2-11-4-9-3-10-11/h3-4H,1-2H2
InChIKeyABXPPQROPKURLD-UHFFFAOYSA-N
XLogP1.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The IUPAC name of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole (CID 64565759) is 1-(3,3,3-trifluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)-1,2,4-triazole is FC(F)(F)CCn1cncn1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The InChIKey is ABXPPQROPKURLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)1-2-11-4-9-3-10-11/h3-4H,1-2H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole?
1-(3,3,3-trifluoropropyl)-1,2,4-triazole has a molecular weight of 165.12 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 64565759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).