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

C10H14F7NO — CID 18725559

IUPAC1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCC(F)CC1
InChIInChI=1S/C10H14F7NO/c1-2-19-10(16,17)8(12,13)9(14,15)18-5-3-7(11)4-6-18/h7H,2-6H2,1H3
InChIKeyMXZKFOHZXHSPPB-UHFFFAOYSA-N
MW297.21 g/mol
LogP3.28
Rot. Bonds5

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

1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine (PubChem CID 18725559) has the molecular formula C10H14F7NO and a molecular weight of 297.21 g/mol. Its IUPAC name is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine.

Molecular Properties

Compound Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
PubChem CID18725559
Molecular FormulaC10H14F7NO
Molecular Weight297.21 g/mol
Exact Mass297.10
IUPAC Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCC(F)CC1
InChIInChI=1S/C10H14F7NO/c1-2-19-10(16,17)8(12,13)9(14,15)18-5-3-7(11)4-6-18/h7H,2-6H2,1H3
InChIKeyMXZKFOHZXHSPPB-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 53.28
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-fluoropiperidine?
The IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine (CID 18725559) is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine.
What is the SMILES notation for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine?
The canonical SMILES for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine is CCOC(F)(F)C(F)(F)C(F)(F)N1CCC(F)CC1.
What is the InChIKey of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine?
The InChIKey is MXZKFOHZXHSPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7NO/c1-2-19-10(16,17)8(12,13)9(14,15)18-5-3-7(11)4-6-18/h7H,2-6H2,1H3.
What are the key properties of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine?
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine has a molecular weight of 297.21 g/mol, XLogP of 3.28, 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-fluoropiperidine is sourced from PubChem (CID 18725559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).