2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone

C8H12F3NO2 — CID 139319754

IUPAC2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
SMILESCC(C)OC1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-5(2)14-6-3-12(4-6)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyCRFISNZOXJRMRR-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.18
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone (PubChem CID 139319754) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
PubChem CID139319754
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
SMILESCC(C)OC1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-5(2)14-6-3-12(4-6)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyCRFISNZOXJRMRR-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.18
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
1-(2-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 62733177
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-(2,2-Difluoroethoxy)azetidin-1-yl]ethanone
CID 126758748
1-[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 129269983
1-[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
CID 129269989

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone (CID 139319754) is 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone is CC(C)OC1CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
The InChIKey is CRFISNZOXJRMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(2)14-6-3-12(4-6)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone has a molecular weight of 211.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-propan-2-yloxyazetidin-1-yl)ethanone is sourced from PubChem (CID 139319754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).