5-fluoro-1-iodo-2,3-dimethylbenzene

C8H8FI — CID 118852784

IUPAC5-fluoro-1-iodo-2,3-dimethylbenzene
SMILESCc1cc(F)cc(I)c1C
InChIInChI=1S/C8H8FI/c1-5-3-7(9)4-8(10)6(5)2/h3-4H,1-2H3
InChIKeyYYNJRMMANLDVQI-UHFFFAOYSA-N
MW250.05 g/mol
LogP3.05
Rot. Bonds

About 5-fluoro-1-iodo-2,3-dimethylbenzene

5-fluoro-1-iodo-2,3-dimethylbenzene (PubChem CID 118852784) has the molecular formula C8H8FI and a molecular weight of 250.05 g/mol. Its IUPAC name is 5-fluoro-1-iodo-2,3-dimethylbenzene.

Molecular Properties

Compound Name5-fluoro-1-iodo-2,3-dimethylbenzene
PubChem CID118852784
Molecular FormulaC8H8FI
Molecular Weight250.05 g/mol
Exact Mass249.97
IUPAC Name5-fluoro-1-iodo-2,3-dimethylbenzene
SMILESCc1cc(F)cc(I)c1C
InChIInChI=1S/C8H8FI/c1-5-3-7(9)4-8(10)6(5)2/h3-4H,1-2H3
InChIKeyYYNJRMMANLDVQI-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-iodo-2,3-dimethylbenzene?
The IUPAC name of 5-fluoro-1-iodo-2,3-dimethylbenzene (CID 118852784) is 5-fluoro-1-iodo-2,3-dimethylbenzene.
What is the SMILES notation for 5-fluoro-1-iodo-2,3-dimethylbenzene?
The canonical SMILES for 5-fluoro-1-iodo-2,3-dimethylbenzene is Cc1cc(F)cc(I)c1C.
What is the InChIKey of 5-fluoro-1-iodo-2,3-dimethylbenzene?
The InChIKey is YYNJRMMANLDVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FI/c1-5-3-7(9)4-8(10)6(5)2/h3-4H,1-2H3.
What are the key properties of 5-fluoro-1-iodo-2,3-dimethylbenzene?
5-fluoro-1-iodo-2,3-dimethylbenzene has a molecular weight of 250.05 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-iodo-2,3-dimethylbenzene is sourced from PubChem (CID 118852784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).