2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one

C9H16F2N2O — CID 68915257

IUPAC2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-8(2,3)6(12)7(14)13-4-9(10,11)5-13/h6H,4-5,12H2,1-3H3
InChIKeySOJNWLHBGIBMNC-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.84
Rot. Bonds1

About 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one

2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 68915257) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID68915257
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-8(2,3)6(12)7(14)13-4-9(10,11)5-13/h6H,4-5,12H2,1-3H3
InChIKeySOJNWLHBGIBMNC-UHFFFAOYSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one (CID 68915257) is 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)C(N)C(=O)N1CC(F)(F)C1.
What is the InChIKey of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is SOJNWLHBGIBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-8(2,3)6(12)7(14)13-4-9(10,11)5-13/h6H,4-5,12H2,1-3H3.
What are the key properties of 2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 206.24 g/mol, XLogP of 0.84, 1 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)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 68915257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).