1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone

C9H11F6NO — CID 145287462

IUPAC1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C9H11F6NO/c1-5(17)16-3-6(8(10,11)12)2-7(4-16)9(13,14)15/h6-7H,2-4H2,1H3
InChIKeyMVXCVTGONZZTAN-UHFFFAOYSA-N
MW263.18 g/mol
LogP2.60
Rot. Bonds

About 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone

1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 145287462) has the molecular formula C9H11F6NO and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID145287462
Molecular FormulaC9H11F6NO
Molecular Weight263.18 g/mol
Exact Mass263.07
IUPAC Name1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C9H11F6NO/c1-5(17)16-3-6(8(10,11)12)2-7(4-16)9(13,14)15/h6-7H,2-4H2,1H3
InChIKeyMVXCVTGONZZTAN-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750039
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 143567977
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 158452958
(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 175883924
[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 125129733
[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone
CID 125129727
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
(3S,5R)-3-(1,1-difluoroethyl)-1-methyl-5-(trifluoromethyl)piperidine
CID 159797513

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone (CID 145287462) is 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone is CC(=O)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is MVXCVTGONZZTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO/c1-5(17)16-3-6(8(10,11)12)2-7(4-16)9(13,14)15/h6-7H,2-4H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone?
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 263.18 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 145287462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).