1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C9H15F2NO2 — CID 167351986

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-8(2,3)14-4-7(13)12-5-9(10,11)6-12/h4-6H2,1-3H3
InChIKeyKWHCUOBAAGREFC-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.28
Rot. Bonds2

About 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 167351986) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID167351986
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-8(2,3)14-4-7(13)12-5-9(10,11)6-12/h4-6H2,1-3H3
InChIKeyKWHCUOBAAGREFC-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-3-propylazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603201
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
CID 141354092
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603383
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 112629807
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112601749
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605170
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112602810
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968617

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 167351986) is 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC(C)(C)OCC(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is KWHCUOBAAGREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-8(2,3)14-4-7(13)12-5-9(10,11)6-12/h4-6H2,1-3H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 207.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 167351986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).