1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

C11H19F2NO — CID 176833406

IUPAC1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCC(C(F)F)N1
InChIInChI=1S/C11H19F2NO/c1-11(2,3)9(15)7-5-4-6-8(14-7)10(12)13/h7-8,10,14H,4-6H2,1-3H3
InChIKeyHRSDYSXKBWGAFU-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.38
Rot. Bonds2

About 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176833406) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176833406
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCC(C(F)F)N1
InChIInChI=1S/C11H19F2NO/c1-11(2,3)9(15)7-5-4-6-8(14-7)10(12)13/h7-8,10,14H,4-6H2,1-3H3
InChIKeyHRSDYSXKBWGAFU-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethyl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 176833501
2-(difluoromethyl)-6-propan-2-ylpiperidine;ethane
CID 170772133
1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one
CID 176833352
(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
CID 50919304
5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
CID 76615275
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one
CID 176833958
1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
CID 124704154
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
2,2-dimethyl-1-[(1R,5S)-3-oxabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 135302142
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
2,2-dimethyl-1-[5-(trifluoromethyl)piperazin-2-yl]propan-1-one
CID 176832490

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (CID 176833406) is 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCCC(C(F)F)N1.
What is the InChIKey of 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HRSDYSXKBWGAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-11(2,3)9(15)7-5-4-6-8(14-7)10(12)13/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 219.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).