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

C6H10Cl2F2N4 — CID 139434809

IUPAC3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2cn[nH]n2)CC(F)(F)C1
InChIInChI=1S/C6H8F2N4.2ClH/c7-6(8)2-5(9,3-6)4-1-10-12-11-4;;/h1H,2-3,9H2,(H,10,11,12);2*1H
InChIKeyJUBOFPRGGADZHT-UHFFFAOYSA-N
MW247.08 g/mol
LogP1.23
Rot. Bonds1

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

3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride (PubChem CID 139434809) has the molecular formula C6H10Cl2F2N4 and a molecular weight of 247.08 g/mol. Its IUPAC name is 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride
PubChem CID139434809
Molecular FormulaC6H10Cl2F2N4
Molecular Weight247.08 g/mol
Exact Mass246.03
IUPAC Name3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2cn[nH]n2)CC(F)(F)C1
InChIInChI=1S/C6H8F2N4.2ClH/c7-6(8)2-5(9,3-6)4-1-10-12-11-4;;/h1H,2-3,9H2,(H,10,11,12);2*1H
InChIKeyJUBOFPRGGADZHT-UHFFFAOYSA-N
XLogP1.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride 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;dihydrochloride?
The IUPAC name of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride (CID 139434809) is 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride is Cl.Cl.NC1(c2cn[nH]n2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride?
The InChIKey is JUBOFPRGGADZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4.2ClH/c7-6(8)2-5(9,3-6)4-1-10-12-11-4;;/h1H,2-3,9H2,(H,10,11,12);2*1H.
What are the key properties of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride?
3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;dihydrochloride has a molecular weight of 247.08 g/mol, XLogP of 1.23, 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;dihydrochloride is sourced from PubChem (CID 139434809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).