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

C11H20F2N2O2 — CID 170606694

IUPAC4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine
SMILESCN1CC(OCCN2CCOCC2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-14-8-10(11(12,13)9-14)17-7-4-15-2-5-16-6-3-15/h10H,2-9H2,1H3
InChIKeySZQNKFPICTUZCD-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.28
Rot. Bonds4

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

4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine (PubChem CID 170606694) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine
PubChem CID170606694
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine
SMILESCN1CC(OCCN2CCOCC2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-14-8-10(11(12,13)9-14)17-7-4-15-2-5-16-6-3-15/h10H,2-9H2,1H3
InChIKeySZQNKFPICTUZCD-UHFFFAOYSA-N
XLogP0.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.28
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?
The IUPAC name of 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine (CID 170606694) is 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine is CN1CC(OCCN2CCOCC2)C(F)(F)C1.
What is the InChIKey of 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine?
The InChIKey is SZQNKFPICTUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-14-8-10(11(12,13)9-14)17-7-4-15-2-5-16-6-3-15/h10H,2-9H2,1H3.
What are the key properties of 4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine?
4-[2-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxyethyl]morpholine has a molecular weight of 250.29 g/mol, XLogP of 0.28, 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 is sourced from PubChem (CID 170606694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).