2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine

C9H18FNO — CID 176926557

IUPAC2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine
SMILESCCOCC1(CC)CC(F)CN1
InChIInChI=1S/C9H18FNO/c1-3-9(7-12-4-2)5-8(10)6-11-9/h8,11H,3-7H2,1-2H3
InChIKeyXMHIUGKFFQHNMW-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine

2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine (PubChem CID 176926557) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine
PubChem CID176926557
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine
SMILESCCOCC1(CC)CC(F)CN1
InChIInChI=1S/C9H18FNO/c1-3-9(7-12-4-2)5-8(10)6-11-9/h8,11H,3-7H2,1-2H3
InChIKeyXMHIUGKFFQHNMW-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine (CID 176926557) is 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine is CCOCC1(CC)CC(F)CN1.
What is the InChIKey of 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine?
The InChIKey is XMHIUGKFFQHNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-9(7-12-4-2)5-8(10)6-11-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine?
2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-ethyl-4-fluoropyrrolidine is sourced from PubChem (CID 176926557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).