benzene;dihydrofluoride;hydroiodide

C6H9F2I — CID 67789569

IUPACbenzene;dihydrofluoride;hydroiodide
SMILESF.F.I.c1ccccc1
InChIInChI=1S/C6H6.2FH.HI/c1-2-4-6-5-3-1;;;/h1-6H;3*1H
InChIKeyXSSNRUUDXAQEGT-UHFFFAOYSA-N
MW246.04 g/mol
LogP2.61
Rot. Bonds

About benzene;dihydrofluoride;hydroiodide

benzene;dihydrofluoride;hydroiodide (PubChem CID 67789569) has the molecular formula C6H9F2I and a molecular weight of 246.04 g/mol. Its IUPAC name is benzene;dihydrofluoride;hydroiodide.

Molecular Properties

Compound Namebenzene;dihydrofluoride;hydroiodide
PubChem CID67789569
Molecular FormulaC6H9F2I
Molecular Weight246.04 g/mol
Exact Mass245.97
IUPAC Namebenzene;dihydrofluoride;hydroiodide
SMILESF.F.I.c1ccccc1
InChIInChI=1S/C6H6.2FH.HI/c1-2-4-6-5-3-1;;;/h1-6H;3*1H
InChIKeyXSSNRUUDXAQEGT-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;dihydrofluoride;hydroiodide 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 benzene;dihydrofluoride;hydroiodide?
The IUPAC name of benzene;dihydrofluoride;hydroiodide (CID 67789569) is benzene;dihydrofluoride;hydroiodide.
What is the SMILES notation for benzene;dihydrofluoride;hydroiodide?
The canonical SMILES for benzene;dihydrofluoride;hydroiodide is F.F.I.c1ccccc1.
What is the InChIKey of benzene;dihydrofluoride;hydroiodide?
The InChIKey is XSSNRUUDXAQEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2FH.HI/c1-2-4-6-5-3-1;;;/h1-6H;3*1H.
What are the key properties of benzene;dihydrofluoride;hydroiodide?
benzene;dihydrofluoride;hydroiodide has a molecular weight of 246.04 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dihydrofluoride;hydroiodide is sourced from PubChem (CID 67789569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).