2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine

C12H22FNO — CID 168880932

IUPAC2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine
SMILESCCOCC1CCCN1C1CC(C)(F)C1
InChIInChI=1S/C12H22FNO/c1-3-15-9-10-5-4-6-14(10)11-7-12(2,13)8-11/h10-11H,3-9H2,1-2H3
InChIKeyJZZDRSWBZKLDGJ-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.38
Rot. Bonds4

About 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine

2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine (PubChem CID 168880932) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine
PubChem CID168880932
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine
SMILESCCOCC1CCCN1C1CC(C)(F)C1
InChIInChI=1S/C12H22FNO/c1-3-15-9-10-5-4-6-14(10)11-7-12(2,13)8-11/h10-11H,3-9H2,1-2H3
InChIKeyJZZDRSWBZKLDGJ-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.38
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-fluoro-3-methylcyclobutyl)pyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine (CID 168880932) is 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine is CCOCC1CCCN1C1CC(C)(F)C1.
What is the InChIKey of 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine?
The InChIKey is JZZDRSWBZKLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-3-15-9-10-5-4-6-14(10)11-7-12(2,13)8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine?
2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine has a molecular weight of 215.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-(3-fluoro-3-methylcyclobutyl)pyrrolidine is sourced from PubChem (CID 168880932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).