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

C9H17FN2O — CID 68915962

IUPAC2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CC(F)C1
InChIInChI=1S/C9H17FN2O/c1-9(2,3)7(11)8(13)12-4-6(10)5-12/h6-7H,4-5,11H2,1-3H3
InChIKeyFCKBCQJJEYEXDG-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.54
Rot. Bonds1

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

2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 68915962) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID68915962
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CC(F)C1
InChIInChI=1S/C9H17FN2O/c1-9(2,3)7(11)8(13)12-4-6(10)5-12/h6-7H,4-5,11H2,1-3H3
InChIKeyFCKBCQJJEYEXDG-UHFFFAOYSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.54
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-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one (CID 68915962) is 2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)C(N)C(=O)N1CC(F)C1.
What is the InChIKey of 2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is FCKBCQJJEYEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-9(2,3)7(11)8(13)12-4-6(10)5-12/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 188.25 g/mol, XLogP of 0.54, 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-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 68915962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).