ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one

C11H20F3NO — CID 144773722

IUPACethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
SMILESCC.CCC(=O)C1NCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO.C2H6/c1-2-7(14)8-6(9(10,11)12)4-3-5-13-8;1-2/h6,8,13H,2-5H2,1H3;1-2H3
InChIKeyBCUBITNMYTVLIJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.92
Rot. Bonds2

About ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one

ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one (PubChem CID 144773722) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
PubChem CID144773722
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Nameethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
SMILESCC.CCC(=O)C1NCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO.C2H6/c1-2-7(14)8-6(9(10,11)12)4-3-5-13-8;1-2/h6,8,13H,2-5H2,1H3;1-2H3
InChIKeyBCUBITNMYTVLIJ-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The IUPAC name of ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one (CID 144773722) is ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one.
What is the SMILES notation for ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The canonical SMILES for ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one is CC.CCC(=O)C1NCCCC1C(F)(F)F.
What is the InChIKey of ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The InChIKey is BCUBITNMYTVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO.C2H6/c1-2-7(14)8-6(9(10,11)12)4-3-5-13-8;1-2/h6,8,13H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one?
ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one has a molecular weight of 239.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one is sourced from PubChem (CID 144773722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).