2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one

C10H16F3NO2 — CID 121018895

IUPAC2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-9(2,3)8(15)14-4-7(5-14)16-6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyMGQJQZRPADIGNQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds2

About 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one (PubChem CID 121018895) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one
PubChem CID121018895
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-9(2,3)8(15)14-4-7(5-14)16-6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyMGQJQZRPADIGNQ-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,2,2-Trifluoroethoxy)azetidin-1-yl]ethanone
CID 121175264
1-[3-(2,2-Difluoroethoxy)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750462
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 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one (CID 121018895) is 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one?
The InChIKey is MGQJQZRPADIGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(2,3)8(15)14-4-7(5-14)16-6-10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 121018895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).