1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

C10H12BF8N — CID 87860288

IUPAC1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCC(C)[n+]1ccccc1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12N.C2BF8/c1-8(2)9-6-4-3-5-7-9;4-1(5,2(6,7)8)3(9,10)11/h3-8H,1-2H3;/q+1;-1
InChIKeyUOBQJNCGWUFJQN-UHFFFAOYSA-N
MW309.01 g/mol
LogP4.13
Rot. Bonds2

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

1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 87860288) has the molecular formula C10H12BF8N and a molecular weight of 309.01 g/mol. Its IUPAC name is 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Name1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID87860288
Molecular FormulaC10H12BF8N
Molecular Weight309.01 g/mol
Exact Mass309.09
IUPAC Name1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCC(C)[n+]1ccccc1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12N.C2BF8/c1-8(2)9-6-4-3-5-7-9;4-1(5,2(6,7)8)3(9,10)11/h3-8H,1-2H3;/q+1;-1
InChIKeyUOBQJNCGWUFJQN-UHFFFAOYSA-N
XLogP4.13
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.01
LogP ≤ 54.13
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_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (CID 87860288) is 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is CC(C)[n+]1ccccc1.F[B-](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is UOBQJNCGWUFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.C2BF8/c1-8(2)9-6-4-3-5-7-9;4-1(5,2(6,7)8)3(9,10)11/h3-8H,1-2H3;/q+1;-1.
What are the key properties of 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 309.01 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 87860288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).