1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine

C21H32F12N2O3 — CID 54393529

IUPAC1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCC(C)CC1.COC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(C)C1
InChIInChI=1S/C11H17F6NO.C10H15F6NO2/c1-3-19-11(16,17)9(12,13)10(14,15)18-6-4-8(2)5-7-18;1-6-4-17(5-7(2)19-6)9(13,14)8(11,12)10(15,16)18-3/h8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3
InChIKeyVIIHINGCYKIALB-UHFFFAOYSA-N
MW588.47 g/mol
LogP6.14
Rot. Bonds9

About 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine

1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine (PubChem CID 54393529) has the molecular formula C21H32F12N2O3 and a molecular weight of 588.47 g/mol. Its IUPAC name is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
PubChem CID54393529
Molecular FormulaC21H32F12N2O3
Molecular Weight588.47 g/mol
Exact Mass588.22
IUPAC Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCC(C)CC1.COC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(C)C1
InChIInChI=1S/C11H17F6NO.C10H15F6NO2/c1-3-19-11(16,17)9(12,13)10(14,15)18-6-4-8(2)5-7-18;1-6-4-17(5-7(2)19-6)9(13,14)8(11,12)10(15,16)18-3/h8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3
InChIKeyVIIHINGCYKIALB-UHFFFAOYSA-N
XLogP6.14
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.47
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
The IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine (CID 54393529) is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
The canonical SMILES for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine is CCOC(F)(F)C(F)(F)C(F)(F)N1CCC(C)CC1.COC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
The InChIKey is VIIHINGCYKIALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO.C10H15F6NO2/c1-3-19-11(16,17)9(12,13)10(14,15)18-6-4-8(2)5-7-18;1-6-4-17(5-7(2)19-6)9(13,14)8(11,12)10(15,16)18-3/h8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3.
What are the key properties of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine has a molecular weight of 588.47 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 54393529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).