2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine

C9H12F7NO2 — CID 23550516

IUPAC2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(F)C1
InChIInChI=1S/C9H12F7NO2/c1-5-3-17(4-6(10)19-5)8(13,14)7(11,12)9(15,16)18-2/h5-6H,3-4H2,1-2H3
InChIKeyQZVKEEBPFJURAM-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.47
Rot. Bonds4

About 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine

2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine (PubChem CID 23550516) has the molecular formula C9H12F7NO2 and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine
PubChem CID23550516
Molecular FormulaC9H12F7NO2
Molecular Weight299.19 g/mol
Exact Mass299.08
IUPAC Name2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(F)C1
InChIInChI=1S/C9H12F7NO2/c1-5-3-17(4-6(10)19-5)8(13,14)7(11,12)9(15,16)18-2/h5-6H,3-4H2,1-2H3
InChIKeyQZVKEEBPFJURAM-UHFFFAOYSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine?
The IUPAC name of 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine (CID 23550516) is 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine.
What is the SMILES notation for 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine?
The canonical SMILES for 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine is COC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(F)C1.
What is the InChIKey of 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine?
The InChIKey is QZVKEEBPFJURAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F7NO2/c1-5-3-17(4-6(10)19-5)8(13,14)7(11,12)9(15,16)18-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine?
2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine has a molecular weight of 299.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine is sourced from PubChem (CID 23550516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).