1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one

C9H16FNO — CID 131207076

IUPAC1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCC1(C)C
InChIInChI=1S/C9H16FNO/c1-8(2)5-6-11(8)7(12)9(3,4)10/h5-6H2,1-4H3
InChIKeyCJZFTCVUSIDWQU-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.75
Rot. Bonds1

About 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one

1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 131207076) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID131207076
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCC1(C)C
InChIInChI=1S/C9H16FNO/c1-8(2)5-6-11(8)7(12)9(3,4)10/h5-6H2,1-4H3
InChIKeyCJZFTCVUSIDWQU-UHFFFAOYSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-Dimethyl-1-propan-2-ylazetidin-2-one
CID 15269781
2-Fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054342
1-(3-Fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 58394736
1-(3-Fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
2-Fluoro-2-methyl-1-(3-methylazetidin-1-yl)propan-1-one
CID 68044423
1-(3-Fluoro-3-methylazetidin-1-yl)-2-methylpropan-1-one
CID 89177787
N-ethyl-N-(3-fluoro-3-methylbutyl)acetamide
CID 89513645
1-(3-Fluoroazetidin-1-yl)-3-methylbutan-1-one
CID 89981837
1-(3-Fluoro-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89982340
1-[3-(Fluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 121184924
1-[3-(Fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121184925
1-[3-(Fluoromethyl)azetidin-1-yl]-3-methylbutan-1-one
CID 121188791

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one (CID 131207076) is 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)N1CCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is CJZFTCVUSIDWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(2)5-6-11(8)7(12)9(3,4)10/h5-6H2,1-4H3.
What are the key properties of 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 173.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 131207076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).