1-(2,2,2-trifluoroacetyl)piperidin-4-one

C7H8F3NO2 — CID 15080943

IUPAC1-(2,2,2-trifluoroacetyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4H2
InChIKeyLUOSNGFOANFUES-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.74
Rot. Bonds

About 1-(2,2,2-trifluoroacetyl)piperidin-4-one

1-(2,2,2-trifluoroacetyl)piperidin-4-one (PubChem CID 15080943) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)piperidin-4-one
PubChem CID15080943
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name1-(2,2,2-trifluoroacetyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4H2
InChIKeyLUOSNGFOANFUES-UHFFFAOYSA-N
XLogP0.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-4-piperidone
CID 122563
1-Trifluoroacetyl piperidine
CID 5181830
1-Propanoylpiperidin-4-one
CID 18913727
1-(2,2,2-Trifluoroethyl)piperidin-4-one
CID 17840009
1-(2,2-Difluoroethyl)piperidin-4-one
CID 47002711
1-(2,2,2-Trifluoroethyl)piperidine-2,4-dione
CID 79516449
2,2,2-Trifluoro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 134827901
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906
2,2,2-Trifluoro-1-(4-fluoropiperidin-1-yl)ethan-1-one
CID 134827891
1-(cis-3,5-Difluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827913
2,2,2-trifluoro-1-[(3S)-3-fluoropiperidin-1-yl]ethanone
CID 177853587

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidin-4-one (CID 15080943) is 1-(2,2,2-trifluoroacetyl)piperidin-4-one.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)piperidin-4-one is O=C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The InChIKey is LUOSNGFOANFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4H2.
What are the key properties of 1-(2,2,2-trifluoroacetyl)piperidin-4-one?
1-(2,2,2-trifluoroacetyl)piperidin-4-one has a molecular weight of 195.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)piperidin-4-one is sourced from PubChem (CID 15080943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).