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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Related Compounds

5-fluoro-1,2-diiodo-3-methylbenzene
CID 119020477
4-fluoro-2-iodo-6-methylaniline
CID 79018506
2-[bromo-(4-fluoro-2-iodophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 114029530
1-iodo-2,3-dimethyl-5-propylbenzene
CID 171831692
3-iodo-4,5-dimethylbenzoic acid
CID 81431069
5-fluoro-2-iodo-1-methoxy-3-methylbenzene
CID 170171425
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite
CID 158082542
5-fluoro-2,3-dimethylbenzamide
CID 118990937
5-fluoro-2-[3-(4-fluoro-2-iodophenoxy)propoxy]-1,3-dimethylbenzene
CID 154029735
3-fluoro-1-iodo-2,4-dimethylbenzene
CID 129014010
chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane
CID 90259874

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).