ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone

C12H24F3NO — CID 165407217

IUPACethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone
SMILESCC.CC.CN1CCC(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO.2C2H6/c1-12-4-2-6(3-5-12)7(13)8(9,10)11;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyHHBMOZPPDBKLLR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds1

About ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone

ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone (PubChem CID 165407217) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone
PubChem CID165407217
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Nameethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone
SMILESCC.CC.CN1CCC(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO.2C2H6/c1-12-4-2-6(3-5-12)7(13)8(9,10)11;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyHHBMOZPPDBKLLR-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone (CID 165407217) is ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone is CC.CC.CN1CCC(C(=O)C(F)(F)F)CC1.
What is the InChIKey of ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is HHBMOZPPDBKLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO.2C2H6/c1-12-4-2-6(3-5-12)7(13)8(9,10)11;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?
ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 165407217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).