1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone

C7H11F2NO2 — CID 126758748

IUPAC1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(OCC(F)F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(11)10-2-6(3-10)12-4-7(8)9/h6-7H,2-4H2,1H3
InChIKeyMMOAGOGMQKPZPJ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.50
Rot. Bonds3

About 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone

1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone (PubChem CID 126758748) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone
PubChem CID126758748
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(OCC(F)F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(11)10-2-6(3-10)12-4-7(8)9/h6-7H,2-4H2,1H3
InChIKeyMMOAGOGMQKPZPJ-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2,2,2-Trifluoro-1-(2-methylmorpholin-4-yl)ethanone
CID 62490417
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
CID 80716520
2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 90213238
2,2-Dimethyl-1-(3-(2,2,2-trifluoroethoxy)azetidin-1-yl)propan-1-one
CID 121018895
1-[3-(2,2,2-Trifluoroethoxy)azetidin-1-yl]ethanone
CID 121175264
1-(3,3-Difluoroazetidin-1-yl)-2-methoxyethanone
CID 122269326
Propan-2-yl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 123161717
1-[3-(2,2-Difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750462
1-[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 129269983
1-[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
CID 129269989
2,2,2-Trifluoro-1-(3-methoxyazetidin-1-yl)ethanone
CID 130159705
1-[3-(Difluoromethoxy)azetidin-1-yl]ethanone
CID 131178077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone (CID 126758748) is 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone is CC(=O)N1CC(OCC(F)F)C1.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone?
The InChIKey is MMOAGOGMQKPZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-5(11)10-2-6(3-10)12-4-7(8)9/h6-7H,2-4H2,1H3.
What are the key properties of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone?
1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone has a molecular weight of 179.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]ethanone is sourced from PubChem (CID 126758748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).