1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one

C7H11F2NO2 — CID 126989694

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(12-2)6(11)10-3-7(8,9)4-10/h5H,3-4H2,1-2H3
InChIKeyALIYCOGOMAALLF-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.50
Rot. Bonds2

About 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one

1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one (PubChem CID 126989694) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
PubChem CID126989694
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(12-2)6(11)10-3-7(8,9)4-10/h5H,3-4H2,1-2H3
InChIKeyALIYCOGOMAALLF-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102737661
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
(2R)-2-chloro-1-(3,3-difluoroazetidin-1-yl)butan-1-one
CID 129493863
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methoxypropan-1-one
CID 115588850
2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 164659441
1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
CID 107406143
9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 113374783
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
CID 115737084
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 112686300
bis((2S)-2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one);dihydrochloride
CID 158386943

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one (CID 126989694) is 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is ALIYCOGOMAALLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-5(12-2)6(11)10-3-7(8,9)4-10/h5H,3-4H2,1-2H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 179.17 g/mol, XLogP of 0.50, 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-methoxypropan-1-one is sourced from PubChem (CID 126989694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).