1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone

C9H14F3NO2 — CID 126758356

IUPAC1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13-4-2-3-8(5-13)15-6-9(10,11)12/h8H,2-6H2,1H3
InChIKeyIJSLGUQYOJJTQC-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds2

About 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone

1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone (PubChem CID 126758356) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone
PubChem CID126758356
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13-4-2-3-8(5-13)15-6-9(10,11)12/h8H,2-6H2,1H3
InChIKeyIJSLGUQYOJJTQC-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 164630389
1-[4-Fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450378
2,2,2-Trifluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 58896716
2,2,2-trifluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 59833327
2,2,2-Trifluoro-1-(2-methylmorpholin-4-yl)ethanone
CID 62490417
1-(4-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62726538
1-(2-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 62733177
1-[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 68211716
3-(2,2-Difluoroethoxy)-4,4-dimethoxy-1-(trifluoroacetyl)piperidine
CID 86648631
3-(2,2-Difluoroethoxy)-1-(trifluoroacetyl)piperidin-4-one
CID 86648632

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone (CID 126758356) is 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone is CC(=O)N1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone?
The InChIKey is IJSLGUQYOJJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(14)13-4-2-3-8(5-13)15-6-9(10,11)12/h8H,2-6H2,1H3.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone?
1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone has a molecular weight of 225.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).