1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide

C4H5BF6N2 — CID 143303364

IUPAC1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESC1=C[NH2+]C=N1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C3H4N2.CBF6/c1-2-5-3-4-1;3-1(4,5)2(6,7)8/h1-3H,(H,4,5);/q;-1/p+1
InChIKeyPIOOETQOVCEOHG-UHFFFAOYSA-O
MW205.90 g/mol
LogP1.00
Rot. Bonds

About 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide

1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide (PubChem CID 143303364) has the molecular formula C4H5BF6N2 and a molecular weight of 205.90 g/mol. Its IUPAC name is 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide.

Molecular Properties

Compound Name1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide
PubChem CID143303364
Molecular FormulaC4H5BF6N2
Molecular Weight205.90 g/mol
Exact Mass206.04
IUPAC Name1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESC1=C[NH2+]C=N1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C3H4N2.CBF6/c1-2-5-3-4-1;3-1(4,5)2(6,7)8/h1-3H,(H,4,5);/q;-1/p+1
InChIKeyPIOOETQOVCEOHG-UHFFFAOYSA-O
XLogP1.00
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.90
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1H-imidazol-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 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide?
The IUPAC name of 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide (CID 143303364) is 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide.
What is the SMILES notation for 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide?
The canonical SMILES for 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide is C1=C[NH2+]C=N1.F[B-](F)(F)C(F)(F)F.
What is the InChIKey of 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide?
The InChIKey is PIOOETQOVCEOHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N2.CBF6/c1-2-5-3-4-1;3-1(4,5)2(6,7)8/h1-3H,(H,4,5);/q;-1/p+1.
What are the key properties of 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide?
1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide has a molecular weight of 205.90 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide is sourced from PubChem (CID 143303364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).