4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane

C16H34F2N2O2 — CID 170606693

IUPAC4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane
SMILESCC.CCC.CN1CC(OCCN2CCOCC2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2.C3H8.C2H6/c1-14-8-10(11(12,13)9-14)17-7-4-15-2-5-16-6-3-15;1-3-2;1-2/h10H,2-9H2,1H3;3H2,1-2H3;1-2H3
InChIKeyYDTJYFVWDSLOQB-UHFFFAOYSA-N
MW324.46 g/mol
LogP2.73
Rot. Bonds4

About 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane

4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane (PubChem CID 170606693) has the molecular formula C16H34F2N2O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane.

Molecular Properties

Compound Name4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane
PubChem CID170606693
Molecular FormulaC16H34F2N2O2
Molecular Weight324.46 g/mol
Exact Mass324.26
IUPAC Name4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane
SMILESCC.CCC.CN1CC(OCCN2CCOCC2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2.C3H8.C2H6/c1-14-8-10(11(12,13)9-14)17-7-4-15-2-5-16-6-3-15;1-3-2;1-2/h10H,2-9H2,1H3;3H2,1-2H3;1-2H3
InChIKeyYDTJYFVWDSLOQB-UHFFFAOYSA-N
XLogP2.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane?
The IUPAC name of 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane (CID 170606693) is 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane.
What is the SMILES notation for 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane?
The canonical SMILES for 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane is CC.CCC.CN1CC(OCCN2CCOCC2)C(F)(F)C1.
What is the InChIKey of 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane?
The InChIKey is YDTJYFVWDSLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2.C3H8.C2H6/c1-14-8-10(11(12,13)9-14)17-7-4-15-2-5-16-6-3-15;1-3-2;1-2/h10H,2-9H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane?
4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane has a molecular weight of 324.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine;ethane;propane is sourced from PubChem (CID 170606693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).