2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone

C11H19FN2O — CID 10465834

IUPAC2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone
SMILESNC(C(=O)N1CC(F)C1)C1CCCCC1
InChIInChI=1S/C11H19FN2O/c12-9-6-14(7-9)11(15)10(13)8-4-2-1-3-5-8/h8-10H,1-7,13H2
InChIKeyHJKPXKCMILBKIP-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone

2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone (PubChem CID 10465834) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone
PubChem CID10465834
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone
SMILESNC(C(=O)N1CC(F)C1)C1CCCCC1
InChIInChI=1S/C11H19FN2O/c12-9-6-14(7-9)11(15)10(13)8-4-2-1-3-5-8/h8-10H,1-7,13H2
InChIKeyHJKPXKCMILBKIP-UHFFFAOYSA-N
XLogP1.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.07
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-fluoroazetidin-1-yl)ethanone?
The IUPAC name of 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone (CID 10465834) is 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone is NC(C(=O)N1CC(F)C1)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone?
The InChIKey is HJKPXKCMILBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c12-9-6-14(7-9)11(15)10(13)8-4-2-1-3-5-8/h8-10H,1-7,13H2.
What are the key properties of 2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone?
2-amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone has a molecular weight of 214.28 g/mol, XLogP of 1.07, 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-fluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 10465834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).