2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine

C12H24FNO2 — CID 166984345

IUPAC2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
SMILESCCOCC1CCC(COC)N1CCCF
InChIInChI=1S/C12H24FNO2/c1-3-16-10-12-6-5-11(9-15-2)14(12)8-4-7-13/h11-12H,3-10H2,1-2H3
InChIKeyXHQWIZMETUQXOP-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.86
Rot. Bonds8

About 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine

2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine (PubChem CID 166984345) has the molecular formula C12H24FNO2 and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
PubChem CID166984345
Molecular FormulaC12H24FNO2
Molecular Weight233.33 g/mol
Exact Mass233.18
IUPAC Name2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
SMILESCCOCC1CCC(COC)N1CCCF
InChIInChI=1S/C12H24FNO2/c1-3-16-10-12-6-5-11(9-15-2)14(12)8-4-7-13/h11-12H,3-10H2,1-2H3
InChIKeyXHQWIZMETUQXOP-UHFFFAOYSA-N
XLogP1.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine (CID 166984345) is 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine is CCOCC1CCC(COC)N1CCCF.
What is the InChIKey of 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
The InChIKey is XHQWIZMETUQXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2/c1-3-16-10-12-6-5-11(9-15-2)14(12)8-4-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine has a molecular weight of 233.33 g/mol, XLogP of 1.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 166984345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).