cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone

C10H15F2NO — CID 122269324

IUPACcyclohexyl-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c11-10(12)6-13(7-10)9(14)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyLEZVCDYJNSXEBQ-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.04
Rot. Bonds1

About cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone

cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 122269324) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID122269324
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Namecyclohexyl-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c11-10(12)6-13(7-10)9(14)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyLEZVCDYJNSXEBQ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.04
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
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
3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
CID 126794154
[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone
CID 129349028
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide
CID 5008429
N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 5082888
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide
CID 5092805
Cyclohexanecarbonyl-dipropyl-(trifluoromethyl)azanium
CID 21738643
Cyclohexanecarbonyl-dipentyl-(trifluoromethyl)azanium
CID 54379583
1-(3,3-Difluoroazetidin-1-yl)-2-(4-propan-2-ylcyclohexyl)ethanone
CID 58394670

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone (CID 122269324) is cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone is O=C(C1CCCCC1)N1CC(F)(F)C1.
What is the InChIKey of cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is LEZVCDYJNSXEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-10(12)6-13(7-10)9(14)8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone?
cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 203.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 122269324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).