1,3-difluoro-5-iodo-2,4-dimethoxybenzene

C8H7F2IO2 — CID 50998225

IUPAC1,3-difluoro-5-iodo-2,4-dimethoxybenzene
SMILESCOc1c(F)cc(I)c(OC)c1F
InChIInChI=1S/C8H7F2IO2/c1-12-7-4(9)3-5(11)8(13-2)6(7)10/h3H,1-2H3
InChIKeyQIIGKOYUNPWGJD-UHFFFAOYSA-N
MW300.04 g/mol
LogP2.59
Rot. Bonds2

About 1,3-difluoro-5-iodo-2,4-dimethoxybenzene

1,3-difluoro-5-iodo-2,4-dimethoxybenzene (PubChem CID 50998225) has the molecular formula C8H7F2IO2 and a molecular weight of 300.04 g/mol. Its IUPAC name is 1,3-difluoro-5-iodo-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1,3-difluoro-5-iodo-2,4-dimethoxybenzene
PubChem CID50998225
Molecular FormulaC8H7F2IO2
Molecular Weight300.04 g/mol
Exact Mass299.95
IUPAC Name1,3-difluoro-5-iodo-2,4-dimethoxybenzene
SMILESCOc1c(F)cc(I)c(OC)c1F
InChIInChI=1S/C8H7F2IO2/c1-12-7-4(9)3-5(11)8(13-2)6(7)10/h3H,1-2H3
InChIKeyQIIGKOYUNPWGJD-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.04
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-iodo-2,4-dimethoxybenzene?
The IUPAC name of 1,3-difluoro-5-iodo-2,4-dimethoxybenzene (CID 50998225) is 1,3-difluoro-5-iodo-2,4-dimethoxybenzene.
What is the SMILES notation for 1,3-difluoro-5-iodo-2,4-dimethoxybenzene?
The canonical SMILES for 1,3-difluoro-5-iodo-2,4-dimethoxybenzene is COc1c(F)cc(I)c(OC)c1F.
What is the InChIKey of 1,3-difluoro-5-iodo-2,4-dimethoxybenzene?
The InChIKey is QIIGKOYUNPWGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IO2/c1-12-7-4(9)3-5(11)8(13-2)6(7)10/h3H,1-2H3.
What are the key properties of 1,3-difluoro-5-iodo-2,4-dimethoxybenzene?
1,3-difluoro-5-iodo-2,4-dimethoxybenzene has a molecular weight of 300.04 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-iodo-2,4-dimethoxybenzene is sourced from PubChem (CID 50998225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).