1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

C10H18BF8N — CID 87860797

IUPAC1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCC[N+]1(CC)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H18N.C2BF8/c1-3-9(4-2)7-5-6-8-9;4-1(5,2(6,7)8)3(9,10)11/h3-8H2,1-2H3;/q+1;-1
InChIKeyBCRKAXJGYFXEMJ-UHFFFAOYSA-N
MW315.06 g/mol
LogP4.21
Rot. Bonds3

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

1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 87860797) has the molecular formula C10H18BF8N and a molecular weight of 315.06 g/mol. Its IUPAC name is 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Name1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID87860797
Molecular FormulaC10H18BF8N
Molecular Weight315.06 g/mol
Exact Mass315.14
IUPAC Name1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCC[N+]1(CC)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H18N.C2BF8/c1-3-9(4-2)7-5-6-8-9;4-1(5,2(6,7)8)3(9,10)11/h3-8H2,1-2H3;/q+1;-1
InChIKeyBCRKAXJGYFXEMJ-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

Analyze 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide with MolForge

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

Launch Full Analysis

Related Compounds

1-Ethyl-1-methylpyrrolidinium Tetrafluoroborate
CID 18374068
1-Butyl-1-methylpyrrolidinium tetrafluoroborate
CID 44717198
1-Methyl-1-propylpyrrolidinium tetrafluoroborate
CID 23117222
N-methyl-N-butylpyrrolidinium-pentafluoroethyltrifluoroborate
CID 12157906
N,N-diethyl-N-methyl-N-(n-butyl)ammonium trifluoromethyltrifluoroborate
CID 134716243
N,N-diethyl-N-methyl-N-(n-butyl)ammonium pentafluoroethyltrifluoroborate
CID 134716296
1-Methyl-1-pentylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 12157907
1-Hexyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 12157909
1-Heptyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 12157910
1-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-1-ium iodide
CID 44229486
1-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
CID 44229488
CID 58944961
CID 58944961

Frequently Asked Questions

What is the IUPAC name of 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (CID 87860797) is 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is CC[N+]1(CC)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is BCRKAXJGYFXEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.C2BF8/c1-3-9(4-2)7-5-6-8-9;4-1(5,2(6,7)8)3(9,10)11/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 315.06 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 87860797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).