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

C8H8FIO — CID 170171425

IUPAC5-fluoro-2-iodo-1-methoxy-3-methylbenzene
SMILESCOc1cc(F)cc(C)c1I
InChIInChI=1S/C8H8FIO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKeyVDTIUVCCFANNHM-UHFFFAOYSA-N
MW266.05 g/mol
LogP2.75
Rot. Bonds1

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

5-fluoro-2-iodo-1-methoxy-3-methylbenzene (PubChem CID 170171425) has the molecular formula C8H8FIO and a molecular weight of 266.05 g/mol. Its IUPAC name is 5-fluoro-2-iodo-1-methoxy-3-methylbenzene.

Molecular Properties

Compound Name5-fluoro-2-iodo-1-methoxy-3-methylbenzene
PubChem CID170171425
Molecular FormulaC8H8FIO
Molecular Weight266.05 g/mol
Exact Mass265.96
IUPAC Name5-fluoro-2-iodo-1-methoxy-3-methylbenzene
SMILESCOc1cc(F)cc(C)c1I
InChIInChI=1S/C8H8FIO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKeyVDTIUVCCFANNHM-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-1-methoxy-3-methylbenzene?
The IUPAC name of 5-fluoro-2-iodo-1-methoxy-3-methylbenzene (CID 170171425) is 5-fluoro-2-iodo-1-methoxy-3-methylbenzene.
What is the SMILES notation for 5-fluoro-2-iodo-1-methoxy-3-methylbenzene?
The canonical SMILES for 5-fluoro-2-iodo-1-methoxy-3-methylbenzene is COc1cc(F)cc(C)c1I.
What is the InChIKey of 5-fluoro-2-iodo-1-methoxy-3-methylbenzene?
The InChIKey is VDTIUVCCFANNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3.
What are the key properties of 5-fluoro-2-iodo-1-methoxy-3-methylbenzene?
5-fluoro-2-iodo-1-methoxy-3-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 5-fluoro-2-iodo-1-methoxy-3-methylbenzene is sourced from PubChem (CID 170171425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).