1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene

C9H9F2IO2 — CID 130926019

IUPAC1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene
SMILESCOc1cc(OC)c(I)c(C(F)F)c1
InChIInChI=1S/C9H9F2IO2/c1-13-5-3-6(9(10)11)8(12)7(4-5)14-2/h3-4,9H,1-2H3
InChIKeyYLFGJPLWYSCNBQ-UHFFFAOYSA-N
MW314.07 g/mol
LogP3.25
Rot. Bonds3

About 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene

1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene (PubChem CID 130926019) has the molecular formula C9H9F2IO2 and a molecular weight of 314.07 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene
PubChem CID130926019
Molecular FormulaC9H9F2IO2
Molecular Weight314.07 g/mol
Exact Mass313.96
IUPAC Name1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene
SMILESCOc1cc(OC)c(I)c(C(F)F)c1
InChIInChI=1S/C9H9F2IO2/c1-13-5-3-6(9(10)11)8(12)7(4-5)14-2/h3-4,9H,1-2H3
InChIKeyYLFGJPLWYSCNBQ-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-3,5-dimethoxyphenyl)ethanol
CID 117289259
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
CID 130079854
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene
CID 118852977
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
(3,5-dimethoxy-2-methylphenyl)methanediol
CID 123413723
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
chloro-(2,4,6-trimethoxyphenyl)phosphane
CID 151134110
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene?
The IUPAC name of 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene (CID 130926019) is 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene.
What is the SMILES notation for 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene?
The canonical SMILES for 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene is COc1cc(OC)c(I)c(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene?
The InChIKey is YLFGJPLWYSCNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IO2/c1-13-5-3-6(9(10)11)8(12)7(4-5)14-2/h3-4,9H,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene?
1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene has a molecular weight of 314.07 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene is sourced from PubChem (CID 130926019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).