hydron;trifluoro(quinolin-8-yl)boranuide

C9H7BF3N — CID 154733789

IUPAChydron;trifluoro(quinolin-8-yl)boranuide
SMILESF[B-](F)(F)c1cccc2cccnc12.[H+]
InChIInChI=1S/C9H6BF3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H/q-1/p+1
InChIKeyBHQIBSADFMUWBU-UHFFFAOYSA-O
MW196.97 g/mol
LogP2.40
Rot. Bonds1

About hydron;trifluoro(quinolin-8-yl)boranuide

hydron;trifluoro(quinolin-8-yl)boranuide (PubChem CID 154733789) has the molecular formula C9H7BF3N and a molecular weight of 196.97 g/mol. Its IUPAC name is hydron;trifluoro(quinolin-8-yl)boranuide.

Molecular Properties

Compound Namehydron;trifluoro(quinolin-8-yl)boranuide
PubChem CID154733789
Molecular FormulaC9H7BF3N
Molecular Weight196.97 g/mol
Exact Mass197.06
IUPAC Namehydron;trifluoro(quinolin-8-yl)boranuide
SMILESF[B-](F)(F)c1cccc2cccnc12.[H+]
InChIInChI=1S/C9H6BF3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H/q-1/p+1
InChIKeyBHQIBSADFMUWBU-UHFFFAOYSA-O
XLogP2.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.97
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydron;trifluoro(quinolin-8-yl)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

iron(2+);bis(quinolin-8-olate)
CID 14497034
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
bis(1,10-phenanthroline);ruthenium
CID 15001085
CID 54604144
CID 54604144
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
quinoline-8-selenol
CID 101467585
quinolin-8-ol;yttrium
CID 174635627

Frequently Asked Questions

What is the IUPAC name of hydron;trifluoro(quinolin-8-yl)boranuide?
The IUPAC name of hydron;trifluoro(quinolin-8-yl)boranuide (CID 154733789) is hydron;trifluoro(quinolin-8-yl)boranuide.
What is the SMILES notation for hydron;trifluoro(quinolin-8-yl)boranuide?
The canonical SMILES for hydron;trifluoro(quinolin-8-yl)boranuide is F[B-](F)(F)c1cccc2cccnc12.[H+].
What is the InChIKey of hydron;trifluoro(quinolin-8-yl)boranuide?
The InChIKey is BHQIBSADFMUWBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H6BF3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H/q-1/p+1.
What are the key properties of hydron;trifluoro(quinolin-8-yl)boranuide?
hydron;trifluoro(quinolin-8-yl)boranuide has a molecular weight of 196.97 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;trifluoro(quinolin-8-yl)boranuide is sourced from PubChem (CID 154733789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).