2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one

C9H14F3NO2 — CID 176832815

IUPAC2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1NC(C(F)(F)F)CO1
InChIInChI=1S/C9H14F3NO2/c1-8(2,3)6(14)7-13-5(4-15-7)9(10,11)12/h5,7,13H,4H2,1-3H3
InChIKeyVJFSGIWHWCSMDE-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds1

About 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one

2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one (PubChem CID 176832815) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one
PubChem CID176832815
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1NC(C(F)(F)F)CO1
InChIInChI=1S/C9H14F3NO2/c1-8(2,3)6(14)7-13-5(4-15-7)9(10,11)12/h5,7,13H,4H2,1-3H3
InChIKeyVJFSGIWHWCSMDE-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[5-(trifluoromethyl)piperazin-2-yl]propan-1-one
CID 176832490
1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833255
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075
1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
CID 176832488
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
5-tert-butyl-2-(trifluoromethyl)morpholine
CID 127013515
2,2-dimethyl-1-[(1R,5S)-3-oxabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 135302142
tert-butyl (1R,5R)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 125129236
1-[(5R)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-3-yl]ethanone
CID 99990046
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
1-(5-chloro-2-methyl-1,3-diazinan-4-yl)-2,2-dimethylpropan-1-one
CID 176832662
3-[(2R,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid
CID 125424409

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one (CID 176832815) is 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one is CC(C)(C)C(=O)C1NC(C(F)(F)F)CO1.
What is the InChIKey of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one?
The InChIKey is VJFSGIWHWCSMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(2,3)6(14)7-13-5(4-15-7)9(10,11)12/h5,7,13H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one?
2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 176832815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).