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

C10H17F2NO2 — CID 126750462

IUPAC1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(OCC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-10(2,3)9(14)13-4-7(5-13)15-6-8(11)12/h7-8H,4-6H2,1-3H3
InChIKeyKQTQHAQJDZEXSL-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.52
Rot. Bonds3

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

1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750462) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750462
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(OCC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-10(2,3)9(14)13-4-7(5-13)15-6-8(11)12/h7-8H,4-6H2,1-3H3
InChIKeyKQTQHAQJDZEXSL-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2,2-Difluoroethoxy)azetidin-1-yl]ethanone
CID 126758748
1-[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 129269983
2,2,2-Trifluoro-1-(3-methoxyazetidin-1-yl)ethanone
CID 130159705
1-[3-(Difluoromethoxy)azetidin-1-yl]ethanone
CID 131178077
1-[3-(Difluoromethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 134271503
1-[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 137444491
2,2,2-Trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
CID 139319754
Ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
CID 145332459
3,3-Dimethyl-1-[3-(trifluoromethoxy)azetidin-1-yl]butan-1-one
CID 156029965
1-(3,3-Difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167351986

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one (CID 126750462) is 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC(OCC(F)F)C1.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KQTQHAQJDZEXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(2,3)9(14)13-4-7(5-13)15-6-8(11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 221.25 g/mol, XLogP of 1.52, 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).