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

C9H9F2IO3 — CID 118852977

IUPAC1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene
SMILESCOc1cc(I)c(OC)c(OC(F)F)c1
InChIInChI=1S/C9H9F2IO3/c1-13-5-3-6(12)8(14-2)7(4-5)15-9(10)11/h3-4,9H,1-2H3
InChIKeyFDLROCZRKPNHMC-UHFFFAOYSA-N
MW330.07 g/mol
LogP2.91
Rot. Bonds4

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

1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene (PubChem CID 118852977) has the molecular formula C9H9F2IO3 and a molecular weight of 330.07 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene
PubChem CID118852977
Molecular FormulaC9H9F2IO3
Molecular Weight330.07 g/mol
Exact Mass329.96
IUPAC Name1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene
SMILESCOc1cc(I)c(OC)c(OC(F)F)c1
InChIInChI=1S/C9H9F2IO3/c1-13-5-3-6(12)8(14-2)7(4-5)15-9(10)11/h3-4,9H,1-2H3
InChIKeyFDLROCZRKPNHMC-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

1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene
CID 118824680
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
CID 119008038
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene
CID 130926019
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
CID 55518993
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
3-(difluoromethoxy)-1-iodonaphthalene
CID 118814613
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
CID 118819202
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene
CID 118254959

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene?
The IUPAC name of 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene (CID 118852977) is 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene?
The canonical SMILES for 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene is COc1cc(I)c(OC)c(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene?
The InChIKey is FDLROCZRKPNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IO3/c1-13-5-3-6(12)8(14-2)7(4-5)15-9(10)11/h3-4,9H,1-2H3.
What are the key properties of 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene?
1-(difluoromethoxy)-3-iodo-2,5-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 1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene is sourced from PubChem (CID 118852977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).