azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride

C8H13ClF2N2O — CID 130697519

IUPACazetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CNC1)N1CC(C(F)F)C1
InChIInChI=1S/C8H12F2N2O.ClH/c9-7(10)6-3-12(4-6)8(13)5-1-11-2-5;/h5-7,11H,1-4H2;1H
InChIKeyVMAXDQJFNWKAJL-UHFFFAOYSA-N
MW226.65 g/mol
LogP0.35
Rot. Bonds2

About azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride

azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride (PubChem CID 130697519) has the molecular formula C8H13ClF2N2O and a molecular weight of 226.65 g/mol. Its IUPAC name is azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Nameazetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride
PubChem CID130697519
Molecular FormulaC8H13ClF2N2O
Molecular Weight226.65 g/mol
Exact Mass226.07
IUPAC Nameazetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CNC1)N1CC(C(F)F)C1
InChIInChI=1S/C8H12F2N2O.ClH/c9-7(10)6-3-12(4-6)8(13)5-1-11-2-5;/h5-7,11H,1-4H2;1H
InChIKeyVMAXDQJFNWKAJL-UHFFFAOYSA-N
XLogP0.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.65
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

azetidin-3-yl-(3-methylazetidin-1-yl)methanone
CID 164653902
azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 130747930
3-(difluoromethyl)azetidine;hydrochloride
CID 66653486
[(3aS,6aS)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 129499777
[(3aR,6aS)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 129499772
azetidin-3-yl-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202562
azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone
CID 130949562
azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 177134769
[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride
CID 154911024
propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate
CID 139305109
azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride?
The IUPAC name of azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride (CID 130697519) is azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride?
The canonical SMILES for azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride is Cl.O=C(C1CNC1)N1CC(C(F)F)C1.
What is the InChIKey of azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride?
The InChIKey is VMAXDQJFNWKAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O.ClH/c9-7(10)6-3-12(4-6)8(13)5-1-11-2-5;/h5-7,11H,1-4H2;1H.
What are the key properties of azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride?
azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride has a molecular weight of 226.65 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 130697519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).