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

C9H16BF8N — CID 87861083

IUPAC1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H16N.C2BF8/c1-3-8(2)6-4-5-7-8;4-1(5,2(6,7)8)3(9,10)11/h3-7H2,1-2H3;/q+1;-1
InChIKeyUCZXWBSWQNQXFF-UHFFFAOYSA-N
MW301.03 g/mol
LogP3.82
Rot. Bonds2

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

1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 87861083) has the molecular formula C9H16BF8N and a molecular weight of 301.03 g/mol. Its IUPAC name is 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Name1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID87861083
Molecular FormulaC9H16BF8N
Molecular Weight301.03 g/mol
Exact Mass301.12
IUPAC Name1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H16N.C2BF8/c1-3-8(2)6-4-5-7-8;4-1(5,2(6,7)8)3(9,10)11/h3-7H2,1-2H3;/q+1;-1
InChIKeyUCZXWBSWQNQXFF-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.03
LogP ≤ 53.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (CID 87861083) is 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is CC[N+]1(C)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is UCZXWBSWQNQXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C2BF8/c1-3-8(2)6-4-5-7-8;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-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 301.03 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 87861083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).