1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone

C14H23F2NO — CID 58394670

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(CC(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2NO/c1-10(2)12-5-3-11(4-6-12)7-13(18)17-8-14(15,16)9-17/h10-12H,3-9H2,1-2H3
InChIKeyXTDCFFUWNGTABR-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.32
Rot. Bonds3

About 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone

1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 58394670) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID58394670
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(CC(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2NO/c1-10(2)12-5-3-11(4-6-12)7-13(18)17-8-14(15,16)9-17/h10-12H,3-9H2,1-2H3
InChIKeyXTDCFFUWNGTABR-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-Cyclohexylazetidin-1-yl)-4,4,4-trifluoro-butan-1-one
CID 137499437
1-[3-(4,4-Difluorocyclohexyl)azetidin-1-yl]-4,4,4-trifluoro-butan-1-one
CID 137499386
N,N-Diethyl-2-isopropyl-5-methylcyclohexanecarboxamide
CID 93591
N,N-diethyl-2-(4-methylcyclohexyl)acetamide
CID 10774870
3-Cyclohexyl-1-[3-(difluoromethyl)azetidin-1-yl]propan-1-one
CID 122272124
(1S)-N-but-2-ynyl-3,3-difluoro-N-methylcyclohexane-1-carboxamide
CID 125144320
1-(5-Azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone
CID 128592037
[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone
CID 129349028
Cyclohexanecarbonyl-dipropyl-(trifluoromethyl)azanium
CID 21738643
Cyclohexanecarbonyl-dipentyl-(trifluoromethyl)azanium
CID 54379583
N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide
CID 58394588
N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 58394758

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone (CID 58394670) is 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone is CC(C)C1CCC(CC(=O)N2CC(F)(F)C2)CC1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is XTDCFFUWNGTABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-10(2)12-5-3-11(4-6-12)7-13(18)17-8-14(15,16)9-17/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone?
1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 259.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 58394670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).