ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C12H24F3NO — CID 143567977

IUPACethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO.2C2H6/c1-6(13)12-4-2-7(3-5-12)8(9,10)11;2*1-2/h7H,2-5H2,1H3;2*1-2H3
InChIKeyYXQHHPUXJOBCEL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.86
Rot. Bonds

About ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 143567977) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID143567977
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Nameethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO.2C2H6/c1-6(13)12-4-2-7(3-5-12)8(9,10)11;2*1-2/h7H,2-5H2,1H3;2*1-2H3
InChIKeyYXQHHPUXJOBCEL-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 143567977) is ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is CC.CC.CC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is YXQHHPUXJOBCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO.2C2H6/c1-6(13)12-4-2-7(3-5-12)8(9,10)11;2*1-2/h7H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 143567977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).