ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one

C15H28F3NO2 — CID 145286961

IUPACethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCC.COCC(C1CCN(C(=O)C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO2.C2H6/c1-9(2)12(18)17-6-4-10(5-7-17)11(8-19-3)13(14,15)16;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyIBVUPMFQAFSCSZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.73
Rot. Bonds4

About ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one

ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 145286961) has the molecular formula C15H28F3NO2 and a molecular weight of 311.39 g/mol. Its IUPAC name is ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
PubChem CID145286961
Molecular FormulaC15H28F3NO2
Molecular Weight311.39 g/mol
Exact Mass311.21
IUPAC Nameethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCC.COCC(C1CCN(C(=O)C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO2.C2H6/c1-9(2)12(18)17-6-4-10(5-7-17)11(8-19-3)13(14,15)16;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyIBVUPMFQAFSCSZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one (CID 145286961) is ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one is CC.COCC(C1CCN(C(=O)C(C)C)CC1)C(F)(F)F.
What is the InChIKey of ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is IBVUPMFQAFSCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2.C2H6/c1-9(2)12(18)17-6-4-10(5-7-17)11(8-19-3)13(14,15)16;1-2/h9-11H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 311.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 145286961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).