2-(difluoromethyl)-3,5-diiodophenol

C7H4F2I2O — CID 118998281

IUPAC2-(difluoromethyl)-3,5-diiodophenol
SMILESOc1cc(I)cc(I)c1C(F)F
InChIInChI=1S/C7H4F2I2O/c8-7(9)6-4(11)1-3(10)2-5(6)12/h1-2,7,12H
InChIKeyUSTSCWRJNDGWOU-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.54
Rot. Bonds1

About 2-(difluoromethyl)-3,5-diiodophenol

2-(difluoromethyl)-3,5-diiodophenol (PubChem CID 118998281) has the molecular formula C7H4F2I2O and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,5-diiodophenol.

Molecular Properties

Compound Name2-(difluoromethyl)-3,5-diiodophenol
PubChem CID118998281
Molecular FormulaC7H4F2I2O
Molecular Weight395.91 g/mol
Exact Mass395.83
IUPAC Name2-(difluoromethyl)-3,5-diiodophenol
SMILESOc1cc(I)cc(I)c1C(F)F
InChIInChI=1S/C7H4F2I2O/c8-7(9)6-4(11)1-3(10)2-5(6)12/h1-2,7,12H
InChIKeyUSTSCWRJNDGWOU-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
CID 130100478
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
copper 2,4,6-triiodophenol
CID 54602337
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol
CID 131195851
2-fluoro-5-iodo-3-methylphenol
CID 164892490
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-ol
CID 130079220
3-(difluoromethyl)-2-fluoro-4-iodo-6-methylpyridine
CID 130079897
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
6-(aminomethyl)-3-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082578
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
2,5-diiodobenzene-1,4-diol
CID 18504287

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,5-diiodophenol?
The IUPAC name of 2-(difluoromethyl)-3,5-diiodophenol (CID 118998281) is 2-(difluoromethyl)-3,5-diiodophenol.
What is the SMILES notation for 2-(difluoromethyl)-3,5-diiodophenol?
The canonical SMILES for 2-(difluoromethyl)-3,5-diiodophenol is Oc1cc(I)cc(I)c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3,5-diiodophenol?
The InChIKey is USTSCWRJNDGWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2I2O/c8-7(9)6-4(11)1-3(10)2-5(6)12/h1-2,7,12H.
What are the key properties of 2-(difluoromethyl)-3,5-diiodophenol?
2-(difluoromethyl)-3,5-diiodophenol has a molecular weight of 395.91 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,5-diiodophenol is sourced from PubChem (CID 118998281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).