1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

C9H16BF8NO — CID 141287215

IUPAC1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCOC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H16NO.C2BF8/c1-8(7-9-2)5-3-4-6-8;4-1(5,2(6,7)8)3(9,10)11/h3-7H2,1-2H3;/q+1;-1
InChIKeyJQAUCDDSGMEHFO-UHFFFAOYSA-N
MW317.03 g/mol
LogP3.40
Rot. Bonds3

About 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 141287215) has the molecular formula C9H16BF8NO and a molecular weight of 317.03 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID141287215
Molecular FormulaC9H16BF8NO
Molecular Weight317.03 g/mol
Exact Mass317.12
IUPAC Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCOC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H16NO.C2BF8/c1-8(7-9-2)5-3-4-6-8;4-1(5,2(6,7)8)3(9,10)11/h3-7H2,1-2H3;/q+1;-1
InChIKeyJQAUCDDSGMEHFO-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.03
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (CID 141287215) is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is COC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is JQAUCDDSGMEHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO.C2BF8/c1-8(7-9-2)5-3-4-6-8;4-1(5,2(6,7)8)3(9,10)11/h3-7H2,1-2H3;/q+1;-1.
What are the key properties of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 317.03 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 141287215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).