4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine

C9H18FNO2 — CID 126542183

IUPAC4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine
SMILESCOCCOCC1CC(F)CN1C
InChIInChI=1S/C9H18FNO2/c1-11-6-8(10)5-9(11)7-13-4-3-12-2/h8-9H,3-7H2,1-2H3
InChIKeyIXHHFTAGCJVDEM-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.69
Rot. Bonds5

About 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine

4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine (PubChem CID 126542183) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine
PubChem CID126542183
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine
SMILESCOCCOCC1CC(F)CN1C
InChIInChI=1S/C9H18FNO2/c1-11-6-8(10)5-9(11)7-13-4-3-12-2/h8-9H,3-7H2,1-2H3
InChIKeyIXHHFTAGCJVDEM-UHFFFAOYSA-N
XLogP0.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine (CID 126542183) is 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine is COCCOCC1CC(F)CN1C.
What is the InChIKey of 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine?
The InChIKey is IXHHFTAGCJVDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-11-6-8(10)5-9(11)7-13-4-3-12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine?
4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine has a molecular weight of 191.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 126542183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).