1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one

C13H20F3NO — CID 137499437

IUPAC1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(C2CCCCC2)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)7-6-12(18)17-8-11(9-17)10-4-2-1-3-5-10/h10-11H,1-9H2
InChIKeyUREVJDJUBZPBNX-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.37
Rot. Bonds3

About 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one

1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 137499437) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one
PubChem CID137499437
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(C2CCCCC2)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)7-6-12(18)17-8-11(9-17)10-4-2-1-3-5-10/h10-11H,1-9H2
InChIKeyUREVJDJUBZPBNX-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one 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

1-(3-Cyclopentylazetidin-1-yl)-4,4,4-trifluoro-butan-1-one
CID 137499368
1-[3-(4,4-Difluorocyclohexyl)azetidin-1-yl]-4,4,4-trifluoro-butan-1-one
CID 137499386
3-Cyclohexyl-1-[3-(difluoromethyl)azetidin-1-yl]propan-1-one
CID 122272124
[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone
CID 129349028
N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide
CID 58394588
1-(3,3-Difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone
CID 58394670
N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 58394758
(3,3-Difluoroazetidin-1-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 68084945
(3,3-Difluoroazetidin-1-yl)-(4-methylcyclohexyl)methanone
CID 89760482
Cyclohexyl(3,3-difluoroazetidin-1-yl)methanone
CID 122269324
3-Butyl-1-(3,3-difluoroazetidin-1-yl)heptan-1-one
CID 123943788
Cyclohexyl-(3-fluoroazetidin-1-yl)methanone
CID 130678406

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one (CID 137499437) is 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one is O=C(CCC(F)(F)F)N1CC(C2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is UREVJDJUBZPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)7-6-12(18)17-8-11(9-17)10-4-2-1-3-5-10/h10-11H,1-9H2.
What are the key properties of 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one?
1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylazetidin-1-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 137499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).