1-fluoro-4-iodo-2-methoxybenzene

C7H6FIO — CID 26598241

IUPAC1-fluoro-4-iodo-2-methoxybenzene
SMILESCOc1cc(I)ccc1F
InChIInChI=1S/C7H6FIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChIKeyFCDKZLAZICFOHU-UHFFFAOYSA-N
MW252.03 g/mol
LogP2.44
Rot. Bonds1

About 1-fluoro-4-iodo-2-methoxybenzene

1-fluoro-4-iodo-2-methoxybenzene (PubChem CID 26598241) has the molecular formula C7H6FIO and a molecular weight of 252.03 g/mol. Its IUPAC name is 1-fluoro-4-iodo-2-methoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-iodo-2-methoxybenzene
PubChem CID26598241
Molecular FormulaC7H6FIO
Molecular Weight252.03 g/mol
Exact Mass251.94
IUPAC Name1-fluoro-4-iodo-2-methoxybenzene
SMILESCOc1cc(I)ccc1F
InChIInChI=1S/C7H6FIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChIKeyFCDKZLAZICFOHU-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 52.44
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

4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037
1,4-diiodo-2-methoxybenzene
CID 23154690
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
4-iodo-1-methoxy-2-methylsulfanylbenzene
CID 164895361
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943827
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
4-fluoro-N-(3-iodophenyl)-3-methoxybenzamide
CID 80948390
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-iodo-2-methoxybenzene?
The IUPAC name of 1-fluoro-4-iodo-2-methoxybenzene (CID 26598241) is 1-fluoro-4-iodo-2-methoxybenzene.
What is the SMILES notation for 1-fluoro-4-iodo-2-methoxybenzene?
The canonical SMILES for 1-fluoro-4-iodo-2-methoxybenzene is COc1cc(I)ccc1F.
What is the InChIKey of 1-fluoro-4-iodo-2-methoxybenzene?
The InChIKey is FCDKZLAZICFOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3.
What are the key properties of 1-fluoro-4-iodo-2-methoxybenzene?
1-fluoro-4-iodo-2-methoxybenzene has a molecular weight of 252.03 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-iodo-2-methoxybenzene is sourced from PubChem (CID 26598241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).