2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride

C9H17ClF2N2O — CID 22741688

IUPAC2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CC(F)(F)C1.Cl
InChIInChI=1S/C9H16F2N2O.ClH/c1-3-6(2)7(12)8(14)13-4-9(10,11)5-13;/h6-7H,3-5,12H2,1-2H3;1H
InChIKeyVXYKWFLKCIJOCB-UHFFFAOYSA-N
MW242.70 g/mol
LogP1.26
Rot. Bonds3

About 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride

2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride (PubChem CID 22741688) has the molecular formula C9H17ClF2N2O and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride
PubChem CID22741688
Molecular FormulaC9H17ClF2N2O
Molecular Weight242.70 g/mol
Exact Mass242.10
IUPAC Name2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CC(F)(F)C1.Cl
InChIInChI=1S/C9H16F2N2O.ClH/c1-3-6(2)7(12)8(14)13-4-9(10,11)5-13;/h6-7H,3-5,12H2,1-2H3;1H
InChIKeyVXYKWFLKCIJOCB-UHFFFAOYSA-N
XLogP1.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9882539
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CID 9882540
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CID 10261972
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CID 10419667
CID 10419667

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride (CID 22741688) is 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CC(F)(F)C1.Cl.
What is the InChIKey of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride?
The InChIKey is VXYKWFLKCIJOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O.ClH/c1-3-6(2)7(12)8(14)13-4-9(10,11)5-13;/h6-7H,3-5,12H2,1-2H3;1H.
What are the key properties of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride?
2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride has a molecular weight of 242.70 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 22741688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).