3-(difluoromethyl)-2,6-diiodophenol

C7H4F2I2O — CID 118999286

IUPAC3-(difluoromethyl)-2,6-diiodophenol
SMILESOc1c(I)ccc(C(F)F)c1I
InChIInChI=1S/C7H4F2I2O/c8-7(9)3-1-2-4(10)6(12)5(3)11/h1-2,7,12H
InChIKeyGXAMYUWIPLZACB-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.54
Rot. Bonds1

About 3-(difluoromethyl)-2,6-diiodophenol

3-(difluoromethyl)-2,6-diiodophenol (PubChem CID 118999286) has the molecular formula C7H4F2I2O and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,6-diiodophenol.

Molecular Properties

Compound Name3-(difluoromethyl)-2,6-diiodophenol
PubChem CID118999286
Molecular FormulaC7H4F2I2O
Molecular Weight395.91 g/mol
Exact Mass395.83
IUPAC Name3-(difluoromethyl)-2,6-diiodophenol
SMILESOc1c(I)ccc(C(F)F)c1I
InChIInChI=1S/C7H4F2I2O/c8-7(9)3-1-2-4(10)6(12)5(3)11/h1-2,7,12H
InChIKeyGXAMYUWIPLZACB-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

4-(difluoromethyl)-2-iodopyridin-3-ol
CID 118801182
2-bromo-1-(difluoromethyl)-4-iodo-3-(trifluoromethyl)benzene
CID 171002749
5-(difluoromethyl)-4-iodopyridin-3-ol
CID 130096607
2-(difluoromethyl)phenol
CID 21386914
2-bromo-4-(difluoromethyl)-3-iodopyridine
CID 119013821
6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
4-(difluoromethyl)-2,3-dimethylphenol
CID 131214195
3-bromo-4-(difluoromethyl)phenol
CID 84688064
3-(difluoromethyl)-6-fluoro-2-iodopyridine
CID 130096186
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
2-(difluoromethyl)-4-fluoro-5-iodopyridin-3-ol
CID 118820579

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,6-diiodophenol?
The IUPAC name of 3-(difluoromethyl)-2,6-diiodophenol (CID 118999286) is 3-(difluoromethyl)-2,6-diiodophenol.
What is the SMILES notation for 3-(difluoromethyl)-2,6-diiodophenol?
The canonical SMILES for 3-(difluoromethyl)-2,6-diiodophenol is Oc1c(I)ccc(C(F)F)c1I.
What is the InChIKey of 3-(difluoromethyl)-2,6-diiodophenol?
The InChIKey is GXAMYUWIPLZACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2I2O/c8-7(9)3-1-2-4(10)6(12)5(3)11/h1-2,7,12H.
What are the key properties of 3-(difluoromethyl)-2,6-diiodophenol?
3-(difluoromethyl)-2,6-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 3-(difluoromethyl)-2,6-diiodophenol is sourced from PubChem (CID 118999286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).