2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene

C9H9F2IO3 — CID 118819202

IUPAC2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(OC(F)F)c1I
InChIInChI=1S/C9H9F2IO3/c1-13-5-3-4-6(14-2)8(7(5)12)15-9(10)11/h3-4,9H,1-2H3
InChIKeySEIRAZZZBJNBKI-UHFFFAOYSA-N
MW330.07 g/mol
LogP2.91
Rot. Bonds4

About 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene

2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene (PubChem CID 118819202) has the molecular formula C9H9F2IO3 and a molecular weight of 330.07 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
PubChem CID118819202
Molecular FormulaC9H9F2IO3
Molecular Weight330.07 g/mol
Exact Mass329.96
IUPAC Name2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(OC(F)F)c1I
InChIInChI=1S/C9H9F2IO3/c1-13-5-3-4-6(14-2)8(7(5)12)15-9(10)11/h3-4,9H,1-2H3
InChIKeySEIRAZZZBJNBKI-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
CID 130934965
2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
CID 119023099
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
CID 171367766
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
2-(difluoromethoxy)-1,3-diiodobenzene
CID 135741218
1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
CID 118836171
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene?
The IUPAC name of 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene (CID 118819202) is 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene?
The canonical SMILES for 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene is COc1ccc(OC)c(OC(F)F)c1I.
What is the InChIKey of 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene?
The InChIKey is SEIRAZZZBJNBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IO3/c1-13-5-3-4-6(14-2)8(7(5)12)15-9(10)11/h3-4,9H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene?
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene has a molecular weight of 330.07 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene is sourced from PubChem (CID 118819202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).