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

C10H20BF6NO — CID 87174963

IUPAC1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESCCC[N+]1(COC)CCCC1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C9H20NO.CBF6/c1-3-6-10(9-11-2)7-4-5-8-10;3-1(4,5)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyXEMHHFYXQKHJTG-UHFFFAOYSA-N
MW295.08 g/mol
LogP3.55
Rot. Bonds4

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

1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide (PubChem CID 87174963) has the molecular formula C10H20BF6NO and a molecular weight of 295.08 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide.

Molecular Properties

Compound Name1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
PubChem CID87174963
Molecular FormulaC10H20BF6NO
Molecular Weight295.08 g/mol
Exact Mass295.15
IUPAC Name1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESCCC[N+]1(COC)CCCC1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C9H20NO.CBF6/c1-3-6-10(9-11-2)7-4-5-8-10;3-1(4,5)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyXEMHHFYXQKHJTG-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 53.55
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'}

Analyze 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The IUPAC name of 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide (CID 87174963) is 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide.
What is the SMILES notation for 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The canonical SMILES for 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide is CCC[N+]1(COC)CCCC1.F[B-](F)(F)C(F)(F)F.
What is the InChIKey of 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The InChIKey is XEMHHFYXQKHJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO.CBF6/c1-3-6-10(9-11-2)7-4-5-8-10;3-1(4,5)2(6,7)8/h3-9H2,1-2H3;/q+1;-1.
What are the key properties of 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide has a molecular weight of 295.08 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-propylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide is sourced from PubChem (CID 87174963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).