3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine

C6H8F2N4 — CID 134285093

IUPAC3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine
SMILESNC1(c2cn[nH]n2)CC(F)(F)C1
InChIInChI=1S/C6H8F2N4/c7-6(8)2-5(9,3-6)4-1-10-12-11-4/h1H,2-3,9H2,(H,10,11,12)
InChIKeyYRDSEBVTSGKAFW-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.39
Rot. Bonds1

About 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine

3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine (PubChem CID 134285093) has the molecular formula C6H8F2N4 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine
PubChem CID134285093
Molecular FormulaC6H8F2N4
Molecular Weight174.15 g/mol
Exact Mass174.07
IUPAC Name3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine
SMILESNC1(c2cn[nH]n2)CC(F)(F)C1
InChIInChI=1S/C6H8F2N4/c7-6(8)2-5(9,3-6)4-1-10-12-11-4/h1H,2-3,9H2,(H,10,11,12)
InChIKeyYRDSEBVTSGKAFW-UHFFFAOYSA-N
XLogP0.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine 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 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine (CID 134285093) is 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine is NC1(c2cn[nH]n2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The InChIKey is YRDSEBVTSGKAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4/c7-6(8)2-5(9,3-6)4-1-10-12-11-4/h1H,2-3,9H2,(H,10,11,12).
What are the key properties of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine has a molecular weight of 174.15 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 134285093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).