fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium

C9H18F6NO+ — CID 161053707

IUPACfluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium
SMILESCOC[N+]1(C)CCCC1.FC(F)F.FC(F)F
InChIInChI=1S/C7H16NO.2CHF3/c1-8(7-9-2)5-3-4-6-8;2*2-1(3)4/h3-7H2,1-2H3;2*1H/q+1;;
InChIKeyUCLUXHRNBBBUKW-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.19
Rot. Bonds2

About fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium

fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium (PubChem CID 161053707) has the molecular formula C9H18F6NO+ and a molecular weight of 270.24 g/mol. Its IUPAC name is fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namefluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium
PubChem CID161053707
Molecular FormulaC9H18F6NO+
Molecular Weight270.24 g/mol
Exact Mass270.13
IUPAC Namefluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium
SMILESCOC[N+]1(C)CCCC1.FC(F)F.FC(F)F
InChIInChI=1S/C7H16NO.2CHF3/c1-8(7-9-2)5-3-4-6-8;2*2-1(3)4/h3-7H2,1-2H3;2*1H/q+1;;
InChIKeyUCLUXHRNBBBUKW-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.19
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 fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium?
The IUPAC name of fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium (CID 161053707) is fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium.
What is the SMILES notation for fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium?
The canonical SMILES for fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium is COC[N+]1(C)CCCC1.FC(F)F.FC(F)F.
What is the InChIKey of fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium?
The InChIKey is UCLUXHRNBBBUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO.2CHF3/c1-8(7-9-2)5-3-4-6-8;2*2-1(3)4/h3-7H2,1-2H3;2*1H/q+1;;.
What are the key properties of fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium?
fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium has a molecular weight of 270.24 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1-(methoxymethyl)-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 161053707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).