1-(2,2-difluoropropyl)triazole

C5H7F2N3 — CID 58070924

IUPAC1-(2,2-difluoropropyl)triazole
SMILESCC(F)(F)Cn1ccnn1
InChIInChI=1S/C5H7F2N3/c1-5(6,7)4-10-3-2-8-9-10/h2-3H,4H2,1H3
InChIKeyQWBJEZILQZSORB-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.93
Rot. Bonds2

About 1-(2,2-difluoropropyl)triazole

1-(2,2-difluoropropyl)triazole (PubChem CID 58070924) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)triazole.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)triazole
PubChem CID58070924
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name1-(2,2-difluoropropyl)triazole
SMILESCC(F)(F)Cn1ccnn1
InChIInChI=1S/C5H7F2N3/c1-5(6,7)4-10-3-2-8-9-10/h2-3H,4H2,1H3
InChIKeyQWBJEZILQZSORB-UHFFFAOYSA-N
XLogP0.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoropropyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)triazole?
The IUPAC name of 1-(2,2-difluoropropyl)triazole (CID 58070924) is 1-(2,2-difluoropropyl)triazole.
What is the SMILES notation for 1-(2,2-difluoropropyl)triazole?
The canonical SMILES for 1-(2,2-difluoropropyl)triazole is CC(F)(F)Cn1ccnn1.
What is the InChIKey of 1-(2,2-difluoropropyl)triazole?
The InChIKey is QWBJEZILQZSORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-5(6,7)4-10-3-2-8-9-10/h2-3H,4H2,1H3.
What are the key properties of 1-(2,2-difluoropropyl)triazole?
1-(2,2-difluoropropyl)triazole has a molecular weight of 147.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)triazole is sourced from PubChem (CID 58070924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).