3,3-difluoroazetidine;methylcyclobutane;hydrochloride

C8H16ClF2N — CID 160710219

IUPAC3,3-difluoroazetidine;methylcyclobutane;hydrochloride
SMILESCC1CCC1.Cl.FC1(F)CNC1
InChIInChI=1S/C5H10.C3H5F2N.ClH/c1-5-3-2-4-5;4-3(5)1-6-2-3;/h5H,2-4H2,1H3;6H,1-2H2;1H
InChIKeyIWSHMUWYHROXOB-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.45
Rot. Bonds

About 3,3-difluoroazetidine;methylcyclobutane;hydrochloride

3,3-difluoroazetidine;methylcyclobutane;hydrochloride (PubChem CID 160710219) has the molecular formula C8H16ClF2N and a molecular weight of 199.67 g/mol. Its IUPAC name is 3,3-difluoroazetidine;methylcyclobutane;hydrochloride.

Molecular Properties

Compound Name3,3-difluoroazetidine;methylcyclobutane;hydrochloride
PubChem CID160710219
Molecular FormulaC8H16ClF2N
Molecular Weight199.67 g/mol
Exact Mass199.09
IUPAC Name3,3-difluoroazetidine;methylcyclobutane;hydrochloride
SMILESCC1CCC1.Cl.FC1(F)CNC1
InChIInChI=1S/C5H10.C3H5F2N.ClH/c1-5-3-2-4-5;4-3(5)1-6-2-3;/h5H,2-4H2,1H3;6H,1-2H2;1H
InChIKeyIWSHMUWYHROXOB-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoroazetidine;methylcyclobutane;hydrochloride 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-difluoroazetidine;methylcyclobutane;hydrochloride?
The IUPAC name of 3,3-difluoroazetidine;methylcyclobutane;hydrochloride (CID 160710219) is 3,3-difluoroazetidine;methylcyclobutane;hydrochloride.
What is the SMILES notation for 3,3-difluoroazetidine;methylcyclobutane;hydrochloride?
The canonical SMILES for 3,3-difluoroazetidine;methylcyclobutane;hydrochloride is CC1CCC1.Cl.FC1(F)CNC1.
What is the InChIKey of 3,3-difluoroazetidine;methylcyclobutane;hydrochloride?
The InChIKey is IWSHMUWYHROXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C3H5F2N.ClH/c1-5-3-2-4-5;4-3(5)1-6-2-3;/h5H,2-4H2,1H3;6H,1-2H2;1H.
What are the key properties of 3,3-difluoroazetidine;methylcyclobutane;hydrochloride?
3,3-difluoroazetidine;methylcyclobutane;hydrochloride has a molecular weight of 199.67 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazetidine;methylcyclobutane;hydrochloride is sourced from PubChem (CID 160710219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).