3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C11H18F3NO3 — CID 71981892

IUPAC3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-2-18-7-4-9(16)15-6-3-5-10(17,8-15)11(12,13)14/h17H,2-8H2,1H3
InChIKeyFSIQOWJILDQHSW-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.33
Rot. Bonds4

About 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 71981892) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID71981892
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-2-18-7-4-9(16)15-6-3-5-10(17,8-15)11(12,13)14/h17H,2-8H2,1H3
InChIKeyFSIQOWJILDQHSW-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 71981892) is 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is CCOCCC(=O)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is FSIQOWJILDQHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-18-7-4-9(16)15-6-3-5-10(17,8-15)11(12,13)14/h17H,2-8H2,1H3.
What are the key properties of 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 269.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71981892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).