1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one

C11H18F3NO2 — CID 58450199

IUPAC1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(OC)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-3-9(16)15-6-4-8(5-7-15)10(17-2)11(12,13)14/h8,10H,3-7H2,1-2H3
InChIKeyXCQBSSYBSLUKOZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds3

About 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one

1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 58450199) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one
PubChem CID58450199
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(OC)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-3-9(16)15-6-4-8(5-7-15)10(17-2)11(12,13)14/h8,10H,3-7H2,1-2H3
InChIKeyXCQBSSYBSLUKOZ-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one (CID 58450199) is 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(OC)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is XCQBSSYBSLUKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-9(16)15-6-4-8(5-7-15)10(17-2)11(12,13)14/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one?
1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 253.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 58450199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).