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

C9H9F2IO2 — CID 119023099

IUPAC2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
SMILESCOc1ccc(I)c(C(F)F)c1OC
InChIInChI=1S/C9H9F2IO2/c1-13-6-4-3-5(12)7(9(10)11)8(6)14-2/h3-4,9H,1-2H3
InChIKeyCNHVFMNNDBJBGX-UHFFFAOYSA-N
MW314.07 g/mol
LogP3.25
Rot. Bonds3

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

2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene (PubChem CID 119023099) has the molecular formula C9H9F2IO2 and a molecular weight of 314.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
PubChem CID119023099
Molecular FormulaC9H9F2IO2
Molecular Weight314.07 g/mol
Exact Mass313.96
IUPAC Name2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
SMILESCOc1ccc(I)c(C(F)F)c1OC
InChIInChI=1S/C9H9F2IO2/c1-13-6-4-3-5(12)7(9(10)11)8(6)14-2/h3-4,9H,1-2H3
InChIKeyCNHVFMNNDBJBGX-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'}

Analyze 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
CID 118819202
1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
4-(difluoromethyl)-3-iodo-5-methoxypyridine
CID 130096647
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
3-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130096639
2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
3-iodo-2,6-dimethoxy-N,N-dimethylaniline
CID 174519773
2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 118821401
3-(1-chloropropyl)-1,2-dimethoxy-4-methylbenzene
CID 89002791

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene?
The IUPAC name of 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene (CID 119023099) is 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene.
What is the SMILES notation for 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene?
The canonical SMILES for 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene is COc1ccc(I)c(C(F)F)c1OC.
What is the InChIKey of 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene?
The InChIKey is CNHVFMNNDBJBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IO2/c1-13-6-4-3-5(12)7(9(10)11)8(6)14-2/h3-4,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene?
2-(difluoromethyl)-1-iodo-3,4-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 2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene is sourced from PubChem (CID 119023099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).