(3-fluorophenyl)-phenyliodanium

C12H9FI+ — CID 14290166

IUPAC(3-fluorophenyl)-phenyliodanium
SMILESFc1cccc([I+]c2ccccc2)c1
InChIInChI=1S/C12H9FI/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H/q+1
InChIKeyMCWJIAGQGYDKAW-UHFFFAOYSA-N
MW299.11 g/mol
LogP-0.05
Rot. Bonds2

About (3-fluorophenyl)-phenyliodanium

(3-fluorophenyl)-phenyliodanium (PubChem CID 14290166) has the molecular formula C12H9FI+ and a molecular weight of 299.11 g/mol. Its IUPAC name is (3-fluorophenyl)-phenyliodanium.

Molecular Properties

Compound Name(3-fluorophenyl)-phenyliodanium
PubChem CID14290166
Molecular FormulaC12H9FI+
Molecular Weight299.11 g/mol
Exact Mass298.97
IUPAC Name(3-fluorophenyl)-phenyliodanium
SMILESFc1cccc([I+]c2ccccc2)c1
InChIInChI=1S/C12H9FI/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H/q+1
InChIKeyMCWJIAGQGYDKAW-UHFFFAOYSA-N
XLogP-0.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-fluorophenyl)-phenyliodanium 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

diphenyliodanium;hydroiodide
CID 54604341
diphenyliodanium;ethane;methane
CID 159636739
[4-(4-fluorophenoxy)phenyl]-phenyliodanium
CID 162496484
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
(3-formylphenyl)-phenyliodanium bromide
CID 53495995
(3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)
CID 22073265
[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium
CID 162496494
diphenyliodanium;4-fluorobenzenesulfonate
CID 22935103
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858604
(1R,2R,3S)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858605

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-phenyliodanium?
The IUPAC name of (3-fluorophenyl)-phenyliodanium (CID 14290166) is (3-fluorophenyl)-phenyliodanium.
What is the SMILES notation for (3-fluorophenyl)-phenyliodanium?
The canonical SMILES for (3-fluorophenyl)-phenyliodanium is Fc1cccc([I+]c2ccccc2)c1.
What is the InChIKey of (3-fluorophenyl)-phenyliodanium?
The InChIKey is MCWJIAGQGYDKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FI/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H/q+1.
What are the key properties of (3-fluorophenyl)-phenyliodanium?
(3-fluorophenyl)-phenyliodanium has a molecular weight of 299.11 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-phenyliodanium is sourced from PubChem (CID 14290166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).