1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine

C11H17F6NO — CID 18731746

IUPAC1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCC(C)CC1
InChIInChI=1S/C11H17F6NO/c1-3-19-11(16,17)9(12,13)10(14,15)18-6-4-8(2)5-7-18/h8H,3-7H2,1-2H3
InChIKeyXVXCFGLREBDTOF-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.58
Rot. Bonds5

About 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine

1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine (PubChem CID 18731746) has the molecular formula C11H17F6NO and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
PubChem CID18731746
Molecular FormulaC11H17F6NO
Molecular Weight293.25 g/mol
Exact Mass293.12
IUPAC Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCC(C)CC1
InChIInChI=1S/C11H17F6NO/c1-3-19-11(16,17)9(12,13)10(14,15)18-6-4-8(2)5-7-18/h8H,3-7H2,1-2H3
InChIKeyXVXCFGLREBDTOF-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine?
The IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine (CID 18731746) is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine.
What is the SMILES notation for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine?
The canonical SMILES for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine is CCOC(F)(F)C(F)(F)C(F)(F)N1CCC(C)CC1.
What is the InChIKey of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine?
The InChIKey is XVXCFGLREBDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO/c1-3-19-11(16,17)9(12,13)10(14,15)18-6-4-8(2)5-7-18/h8H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine?
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine has a molecular weight of 293.25 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine is sourced from PubChem (CID 18731746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).