bis[3-(trifluoromethoxy)phenyl]iodanium

C14H8F6IO2+ — CID 175669102

IUPACbis[3-(trifluoromethoxy)phenyl]iodanium
SMILESFC(F)(F)Oc1cccc([I+]c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H8F6IO2/c15-13(16,17)22-11-5-1-3-9(7-11)21-10-4-2-6-12(8-10)23-14(18,19)20/h1-8H/q+1
InChIKeySYTSBZBOWSPKJV-UHFFFAOYSA-N
MW449.11 g/mol
LogP1.61
Rot. Bonds4

About bis[3-(trifluoromethoxy)phenyl]iodanium

bis[3-(trifluoromethoxy)phenyl]iodanium (PubChem CID 175669102) has the molecular formula C14H8F6IO2+ and a molecular weight of 449.11 g/mol. Its IUPAC name is bis[3-(trifluoromethoxy)phenyl]iodanium.

Molecular Properties

Compound Namebis[3-(trifluoromethoxy)phenyl]iodanium
PubChem CID175669102
Molecular FormulaC14H8F6IO2+
Molecular Weight449.11 g/mol
Exact Mass448.95
IUPAC Namebis[3-(trifluoromethoxy)phenyl]iodanium
SMILESFC(F)(F)Oc1cccc([I+]c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H8F6IO2/c15-13(16,17)22-11-5-1-3-9(7-11)21-10-4-2-6-12(8-10)23-14(18,19)20/h1-8H/q+1
InChIKeySYTSBZBOWSPKJV-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.11
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis[3-(trifluoromethoxy)phenyl]iodanium 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

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
ethane;3-(trifluoromethoxy)phenol
CID 143201974
trifluoromethoxybenzene
CID 157402708
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81415060

Frequently Asked Questions

What is the IUPAC name of bis[3-(trifluoromethoxy)phenyl]iodanium?
The IUPAC name of bis[3-(trifluoromethoxy)phenyl]iodanium (CID 175669102) is bis[3-(trifluoromethoxy)phenyl]iodanium.
What is the SMILES notation for bis[3-(trifluoromethoxy)phenyl]iodanium?
The canonical SMILES for bis[3-(trifluoromethoxy)phenyl]iodanium is FC(F)(F)Oc1cccc([I+]c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of bis[3-(trifluoromethoxy)phenyl]iodanium?
The InChIKey is SYTSBZBOWSPKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6IO2/c15-13(16,17)22-11-5-1-3-9(7-11)21-10-4-2-6-12(8-10)23-14(18,19)20/h1-8H/q+1.
What are the key properties of bis[3-(trifluoromethoxy)phenyl]iodanium?
bis[3-(trifluoromethoxy)phenyl]iodanium has a molecular weight of 449.11 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(trifluoromethoxy)phenyl]iodanium is sourced from PubChem (CID 175669102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).