2-fluoro-1-iodo-3-methoxy-5-methylbenzene

C8H8FIO — CID 67684213

IUPAC2-fluoro-1-iodo-3-methoxy-5-methylbenzene
SMILESCOc1cc(C)cc(I)c1F
InChIInChI=1S/C8H8FIO/c1-5-3-6(10)8(9)7(4-5)11-2/h3-4H,1-2H3
InChIKeyUYMFQDWPLGWVLE-UHFFFAOYSA-N
MW266.05 g/mol
LogP2.75
Rot. Bonds1

About 2-fluoro-1-iodo-3-methoxy-5-methylbenzene

2-fluoro-1-iodo-3-methoxy-5-methylbenzene (PubChem CID 67684213) has the molecular formula C8H8FIO and a molecular weight of 266.05 g/mol. Its IUPAC name is 2-fluoro-1-iodo-3-methoxy-5-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-iodo-3-methoxy-5-methylbenzene
PubChem CID67684213
Molecular FormulaC8H8FIO
Molecular Weight266.05 g/mol
Exact Mass265.96
IUPAC Name2-fluoro-1-iodo-3-methoxy-5-methylbenzene
SMILESCOc1cc(C)cc(I)c1F
InChIInChI=1S/C8H8FIO/c1-5-3-6(10)8(9)7(4-5)11-2/h3-4H,1-2H3
InChIKeyUYMFQDWPLGWVLE-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1,5-diiodo-3-methoxybenzene
CID 130984918
5-bromo-2-fluoro-1-iodo-3-methoxybenzene
CID 162421202
2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene
CID 171367916
2-iodo-6-methoxy-4-methylbenzenethiol
CID 171012224
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
(2,3-difluoro-4-iodo-6-methoxyphenyl)-trimethylsilane
CID 164891648
(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium
CID 20746841
(2,6-dimethoxy-4-methylphenyl) hypoiodite
CID 163998630
4-fluoro-3-iodo-5-methoxypyridine
CID 130822941
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-iodo-3-methoxy-5-methylbenzene?
The IUPAC name of 2-fluoro-1-iodo-3-methoxy-5-methylbenzene (CID 67684213) is 2-fluoro-1-iodo-3-methoxy-5-methylbenzene.
What is the SMILES notation for 2-fluoro-1-iodo-3-methoxy-5-methylbenzene?
The canonical SMILES for 2-fluoro-1-iodo-3-methoxy-5-methylbenzene is COc1cc(C)cc(I)c1F.
What is the InChIKey of 2-fluoro-1-iodo-3-methoxy-5-methylbenzene?
The InChIKey is UYMFQDWPLGWVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIO/c1-5-3-6(10)8(9)7(4-5)11-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-1-iodo-3-methoxy-5-methylbenzene?
2-fluoro-1-iodo-3-methoxy-5-methylbenzene has a molecular weight of 266.05 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-iodo-3-methoxy-5-methylbenzene is sourced from PubChem (CID 67684213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).