2-(difluoromethoxy)-1,3-diiodobenzene

C7H4F2I2O — CID 135741218

IUPAC2-(difluoromethoxy)-1,3-diiodobenzene
SMILESFC(F)Oc1c(I)cccc1I
InChIInChI=1S/C7H4F2I2O/c8-7(9)12-6-4(10)2-1-3-5(6)11/h1-3,7H
InChIKeyBCYRRGFUKPSUJQ-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.50
Rot. Bonds2

About 2-(difluoromethoxy)-1,3-diiodobenzene

2-(difluoromethoxy)-1,3-diiodobenzene (PubChem CID 135741218) has the molecular formula C7H4F2I2O and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-diiodobenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-diiodobenzene
PubChem CID135741218
Molecular FormulaC7H4F2I2O
Molecular Weight395.91 g/mol
Exact Mass395.83
IUPAC Name2-(difluoromethoxy)-1,3-diiodobenzene
SMILESFC(F)Oc1c(I)cccc1I
InChIInChI=1S/C7H4F2I2O/c8-7(9)12-6-4(10)2-1-3-5(6)11/h1-3,7H
InChIKeyBCYRRGFUKPSUJQ-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)-3-iodoaniline
CID 118848684
4-(difluoromethoxy)-5-iodo-1H-benzimidazole
CID 131094172
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
1,3-diiodo-2-methoxybenzene
CID 12610037
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
2-(2,6-diiodophenyl)-1,3-diiodobenzene
CID 91384938
3-(difluoromethoxy)-1-iodonaphthalene
CID 118814613
3-iodo-2-(trifluoromethoxy)benzenethiol
CID 170998267
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
CID 118819202
1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
CID 118818764

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-diiodobenzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-diiodobenzene (CID 135741218) is 2-(difluoromethoxy)-1,3-diiodobenzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-diiodobenzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-diiodobenzene is FC(F)Oc1c(I)cccc1I.
What is the InChIKey of 2-(difluoromethoxy)-1,3-diiodobenzene?
The InChIKey is BCYRRGFUKPSUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2I2O/c8-7(9)12-6-4(10)2-1-3-5(6)11/h1-3,7H.
What are the key properties of 2-(difluoromethoxy)-1,3-diiodobenzene?
2-(difluoromethoxy)-1,3-diiodobenzene has a molecular weight of 395.91 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-diiodobenzene is sourced from PubChem (CID 135741218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).