1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide

C8H16BF6NO — CID 87174939

IUPAC1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESCOC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C7H16NO.CBF6/c1-8(7-9-2)5-3-4-6-8;3-1(4,5)2(6,7)8/h3-7H2,1-2H3;/q+1;-1
InChIKeyZYOPQSWUICBXBE-UHFFFAOYSA-N
MW267.02 g/mol
LogP2.77
Rot. Bonds2

About 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide

1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide (PubChem CID 87174939) has the molecular formula C8H16BF6NO and a molecular weight of 267.02 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
PubChem CID87174939
Molecular FormulaC8H16BF6NO
Molecular Weight267.02 g/mol
Exact Mass267.12
IUPAC Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESCOC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C7H16NO.CBF6/c1-8(7-9-2)5-3-4-6-8;3-1(4,5)2(6,7)8/h3-7H2,1-2H3;/q+1;-1
InChIKeyZYOPQSWUICBXBE-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.02
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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(trifluoromethyl)boranuide?
The IUPAC name of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide (CID 87174939) is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide.
What is the SMILES notation for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The canonical SMILES for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide is COC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)F.
What is the InChIKey of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The InChIKey is ZYOPQSWUICBXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO.CBF6/c1-8(7-9-2)5-3-4-6-8;3-1(4,5)2(6,7)8/h3-7H2,1-2H3;/q+1;-1.
What are the key properties of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide has a molecular weight of 267.02 g/mol, XLogP of 2.77, 2 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(trifluoromethyl)boranuide is sourced from PubChem (CID 87174939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).