5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole

C7H6F7N3 — CID 59585176

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole
SMILESCc1nc(C(F)(F)C(F)(F)C(F)(F)F)n(C)n1
InChIInChI=1S/C7H6F7N3/c1-3-15-4(17(2)16-3)5(8,9)6(10,11)7(12,13)14/h1-2H3
InChIKeyZOFHWLHIUTTWGZ-UHFFFAOYSA-N
MW265.13 g/mol
LogP2.41
Rot. Bonds2

About 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole

5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole (PubChem CID 59585176) has the molecular formula C7H6F7N3 and a molecular weight of 265.13 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole
PubChem CID59585176
Molecular FormulaC7H6F7N3
Molecular Weight265.13 g/mol
Exact Mass265.04
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole
SMILESCc1nc(C(F)(F)C(F)(F)C(F)(F)F)n(C)n1
InChIInChI=1S/C7H6F7N3/c1-3-15-4(17(2)16-3)5(8,9)6(10,11)7(12,13)14/h1-2H3
InChIKeyZOFHWLHIUTTWGZ-UHFFFAOYSA-N
XLogP2.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-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 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole (CID 59585176) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole is Cc1nc(C(F)(F)C(F)(F)C(F)(F)F)n(C)n1.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole?
The InChIKey is ZOFHWLHIUTTWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F7N3/c1-3-15-4(17(2)16-3)5(8,9)6(10,11)7(12,13)14/h1-2H3.
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole has a molecular weight of 265.13 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole is sourced from PubChem (CID 59585176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).