ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite

C14H13F3INO — CID 145449156

IUPACethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite
SMILESCC.FC(F)(F)c1cccc(-c2ccccc2OI)n1
InChIInChI=1S/C12H7F3INO.C2H6/c13-12(14,15)11-7-3-5-9(17-11)8-4-1-2-6-10(8)18-16;1-2/h1-7H;1-2H3
InChIKeyVMMOPLIZZKYPMO-UHFFFAOYSA-N
MW395.16 g/mol
LogP5.52
Rot. Bonds2

About ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite

ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite (PubChem CID 145449156) has the molecular formula C14H13F3INO and a molecular weight of 395.16 g/mol. Its IUPAC name is ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite.

Molecular Properties

Compound Nameethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite
PubChem CID145449156
Molecular FormulaC14H13F3INO
Molecular Weight395.16 g/mol
Exact Mass395.00
IUPAC Nameethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite
SMILESCC.FC(F)(F)c1cccc(-c2ccccc2OI)n1
InChIInChI=1S/C12H7F3INO.C2H6/c13-12(14,15)11-7-3-5-9(17-11)8-4-1-2-6-10(8)18-16;1-2/h1-7H;1-2H3
InChIKeyVMMOPLIZZKYPMO-UHFFFAOYSA-N
XLogP5.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.16
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite 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 ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite?
The IUPAC name of ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite (CID 145449156) is ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite.
What is the SMILES notation for ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite?
The canonical SMILES for ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite is CC.FC(F)(F)c1cccc(-c2ccccc2OI)n1.
What is the InChIKey of ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite?
The InChIKey is VMMOPLIZZKYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3INO.C2H6/c13-12(14,15)11-7-3-5-9(17-11)8-4-1-2-6-10(8)18-16;1-2/h1-7H;1-2H3.
What are the key properties of ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite?
ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite has a molecular weight of 395.16 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl] hypoiodite is sourced from PubChem (CID 145449156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).