3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine

C8H16FNO — CID 90165373

IUPAC3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine
SMILESCCOCC1(F)CCN(C)C1
InChIInChI=1S/C8H16FNO/c1-3-11-7-8(9)4-5-10(2)6-8/h3-7H2,1-2H3
InChIKeyOXFNUHYMVMQRRG-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds3

About 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine

3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine (PubChem CID 90165373) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine
PubChem CID90165373
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine
SMILESCCOCC1(F)CCN(C)C1
InChIInChI=1S/C8H16FNO/c1-3-11-7-8(9)4-5-10(2)6-8/h3-7H2,1-2H3
InChIKeyOXFNUHYMVMQRRG-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 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine?
The IUPAC name of 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine (CID 90165373) is 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine is CCOCC1(F)CCN(C)C1.
What is the InChIKey of 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine?
The InChIKey is OXFNUHYMVMQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-11-7-8(9)4-5-10(2)6-8/h3-7H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine?
3-(ethoxymethyl)-3-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 3-(ethoxymethyl)-3-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 90165373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).