2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone

C8H11F4NO — CID 134827886

IUPAC2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone
SMILESCC1C(F)CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H11F4NO/c1-5-6(9)3-2-4-13(5)7(14)8(10,11)12/h5-6H,2-4H2,1H3
InChIKeyZXGOEYZWAATLLG-UHFFFAOYSA-N
MW213.17 g/mol
LogP1.90
Rot. Bonds

About 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone (PubChem CID 134827886) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone
PubChem CID134827886
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone
SMILESCC1C(F)CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H11F4NO/c1-5-6(9)3-2-4-13(5)7(14)8(10,11)12/h5-6H,2-4H2,1H3
InChIKeyZXGOEYZWAATLLG-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
CID 171796784
1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038145
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
CID 61372651
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
2,2,2-trifluoro-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 78960092
1-(2-but-1-enylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 57358326
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546344
1-[2-(3,4-dimethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110869148
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 102679386

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone (CID 134827886) is 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone is CC1C(F)CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone?
The InChIKey is ZXGOEYZWAATLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-5-6(9)3-2-4-13(5)7(14)8(10,11)12/h5-6H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone has a molecular weight of 213.17 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 134827886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).