1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one

C11H20FNO — CID 155765568

IUPAC1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1(F)CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C11H20FNO/c1-5-11(12)7-13(8-11)9(14)6-10(2,3)4/h5-8H2,1-4H3
InChIKeyLMWHEMIMVQGIMQ-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.38
Rot. Bonds2

About 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one

1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 155765568) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID155765568
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1(F)CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C11H20FNO/c1-5-11(12)7-13(8-11)9(14)6-10(2,3)4/h5-8H2,1-4H3
InChIKeyLMWHEMIMVQGIMQ-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one (CID 155765568) is 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one is CCC1(F)CN(C(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is LMWHEMIMVQGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-5-11(12)7-13(8-11)9(14)6-10(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one?
1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 201.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 155765568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).