4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium

C8H8IRf- — CID 134861003

IUPAC4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium
SMILESCc1c[c-]c(I)cc1C.[Rf]
InChIInChI=1S/C8H8I.Rf/c1-6-3-4-8(9)5-7(6)2;/h3,5H,1-2H3;/q-1;
InChIKeyZDTYYYJSQUVCQG-UHFFFAOYSA-N
MW498.06 g/mol
LogP2.71
Rot. Bonds

About 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium

4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium (PubChem CID 134861003) has the molecular formula C8H8IRf- and a molecular weight of 498.06 g/mol. Its IUPAC name is 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium.

Molecular Properties

Compound Name4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium
PubChem CID134861003
Molecular FormulaC8H8IRf-
Molecular Weight498.06 g/mol
Exact Mass498.09
IUPAC Name4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium
SMILESCc1c[c-]c(I)cc1C.[Rf]
InChIInChI=1S/C8H8I.Rf/c1-6-3-4-8(9)5-7(6)2;/h3,5H,1-2H3;/q-1;
InChIKeyZDTYYYJSQUVCQG-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.06
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 53950976
(3E,5Z)-3-iodo-2-methylhepta-1,3,5-triene
CID 134856403
(3E,5Z)-2-fluoro-4-iodo-5-methylhepta-1,3,5-triene
CID 88575400
3-Ethyl-5-fluoro-2-iodocyclohexa-1,3-diene
CID 89864974
2-Ethyl-3-fluoro-5-iodocyclohexa-1,3-diene
CID 118912038
(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene
CID 146239579
(2Z,4Z)-2-fluoro-3-(iodomethyl)-4-methylhexa-2,4-diene
CID 156381573
(3E,5Z)-4-fluoro-2-iodo-5-methylhepta-1,3,5-triene
CID 156532070
1-Fluoro-3-iodo-2-methylcyclohexa-1,3-diene
CID 173048663
1,3-Cyclohexadiene, 1-iodo-2-methyl
CID 527550
3,5-Dimethylphenylzinc iodide solution
CID 4104848
(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene
CID 10402756

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium?
The IUPAC name of 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium (CID 134861003) is 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium.
What is the SMILES notation for 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium?
The canonical SMILES for 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium is Cc1c[c-]c(I)cc1C.[Rf].
What is the InChIKey of 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium?
The InChIKey is ZDTYYYJSQUVCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I.Rf/c1-6-3-4-8(9)5-7(6)2;/h3,5H,1-2H3;/q-1;.
What are the key properties of 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium?
4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium has a molecular weight of 498.06 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,2-dimethylbenzene-5-ide;rutherfordium is sourced from PubChem (CID 134861003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).