2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone

C11H18F2N2O — CID 10014154

IUPAC2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone
SMILESNC(C(=O)N1CC(F)(F)C1)C1CCCCC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)6-15(7-11)10(16)9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyOGLBLGAIRWSAEG-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone

2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone (PubChem CID 10014154) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone
PubChem CID10014154
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone
SMILESNC(C(=O)N1CC(F)(F)C1)C1CCCCC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)6-15(7-11)10(16)9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyOGLBLGAIRWSAEG-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
The IUPAC name of 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone (CID 10014154) is 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone is NC(C(=O)N1CC(F)(F)C1)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
The InChIKey is OGLBLGAIRWSAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-11(13)6-15(7-11)10(16)9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2.
What are the key properties of 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone has a molecular weight of 232.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 10014154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).