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

C9H18FNO — CID 176568603

IUPAC2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCCOCC1CC(CF)CN1C
InChIInChI=1S/C9H18FNO/c1-3-12-7-9-4-8(5-10)6-11(9)2/h8-9H,3-7H2,1-2H3
InChIKeyOFGKRMMPGSCCIC-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.31
Rot. Bonds4

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

2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine (PubChem CID 176568603) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine
PubChem CID176568603
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCCOCC1CC(CF)CN1C
InChIInChI=1S/C9H18FNO/c1-3-12-7-9-4-8(5-10)6-11(9)2/h8-9H,3-7H2,1-2H3
InChIKeyOFGKRMMPGSCCIC-UHFFFAOYSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine (CID 176568603) is 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine is CCOCC1CC(CF)CN1C.
What is the InChIKey of 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
The InChIKey is OFGKRMMPGSCCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-12-7-9-4-8(5-10)6-11(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176568603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).