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

C8H16FNO — CID 76646808

IUPAC2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine
SMILESCCOCC1CC(F)CN1C
InChIInChI=1S/C8H16FNO/c1-3-11-6-8-4-7(9)5-10(8)2/h7-8H,3-6H2,1-2H3
InChIKeyRAUKRDXWTMIABA-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds3

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

2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine (PubChem CID 76646808) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine
PubChem CID76646808
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine
SMILESCCOCC1CC(F)CN1C
InChIInChI=1S/C8H16FNO/c1-3-11-6-8-4-7(9)5-10(8)2/h7-8H,3-6H2,1-2H3
InChIKeyRAUKRDXWTMIABA-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine (CID 76646808) is 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine is CCOCC1CC(F)CN1C.
What is the InChIKey of 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine?
The InChIKey is RAUKRDXWTMIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-11-6-8-4-7(9)5-10(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine?
2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 76646808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).