1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform

C12H25F3NO+ — CID 69491737

IUPAC1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform
SMILESCCOC[N+]1(CC(C)C)CCCC1.FC(F)F
InChIInChI=1S/C11H24NO.CHF3/c1-4-13-10-12(9-11(2)3)7-5-6-8-12;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;
InChIKeyJVEILASXVAGHHW-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.43
Rot. Bonds5

About 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform

1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform (PubChem CID 69491737) has the molecular formula C12H25F3NO+ and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform
PubChem CID69491737
Molecular FormulaC12H25F3NO+
Molecular Weight256.33 g/mol
Exact Mass256.19
IUPAC Name1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform
SMILESCCOC[N+]1(CC(C)C)CCCC1.FC(F)F
InChIInChI=1S/C11H24NO.CHF3/c1-4-13-10-12(9-11(2)3)7-5-6-8-12;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;
InChIKeyJVEILASXVAGHHW-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform?
The IUPAC name of 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform (CID 69491737) is 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform.
What is the SMILES notation for 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform?
The canonical SMILES for 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform is CCOC[N+]1(CC(C)C)CCCC1.FC(F)F.
What is the InChIKey of 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform?
The InChIKey is JVEILASXVAGHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO.CHF3/c1-4-13-10-12(9-11(2)3)7-5-6-8-12;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;.
What are the key properties of 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform?
1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform has a molecular weight of 256.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform is sourced from PubChem (CID 69491737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).