2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine

C13H24FNO — CID 168880823

IUPAC2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine
SMILESCCOCC1CCCN1C1CC(F)(CC)C1
InChIInChI=1S/C13H24FNO/c1-3-13(14)8-12(9-13)15-7-5-6-11(15)10-16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyIAGKCYIQSLNQKM-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.77
Rot. Bonds5

About 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine

2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine (PubChem CID 168880823) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine
PubChem CID168880823
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine
SMILESCCOCC1CCCN1C1CC(F)(CC)C1
InChIInChI=1S/C13H24FNO/c1-3-13(14)8-12(9-13)15-7-5-6-11(15)10-16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyIAGKCYIQSLNQKM-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine (CID 168880823) is 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine is CCOCC1CCCN1C1CC(F)(CC)C1.
What is the InChIKey of 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine?
The InChIKey is IAGKCYIQSLNQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-3-13(14)8-12(9-13)15-7-5-6-11(15)10-16-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine?
2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine has a molecular weight of 229.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-(3-ethyl-3-fluorocyclobutyl)pyrrolidine is sourced from PubChem (CID 168880823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).