1-fluoro-4-iodo-2-(methoxymethyl)benzene

C8H8FIO — CID 146035295

IUPAC1-fluoro-4-iodo-2-(methoxymethyl)benzene
SMILESCOCc1cc(I)ccc1F
InChIInChI=1S/C8H8FIO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyUWBZFXHNXUEUBD-UHFFFAOYSA-N
MW266.05 g/mol
LogP2.58
Rot. Bonds2

About 1-fluoro-4-iodo-2-(methoxymethyl)benzene

1-fluoro-4-iodo-2-(methoxymethyl)benzene (PubChem CID 146035295) has the molecular formula C8H8FIO and a molecular weight of 266.05 g/mol. Its IUPAC name is 1-fluoro-4-iodo-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-iodo-2-(methoxymethyl)benzene
PubChem CID146035295
Molecular FormulaC8H8FIO
Molecular Weight266.05 g/mol
Exact Mass265.96
IUPAC Name1-fluoro-4-iodo-2-(methoxymethyl)benzene
SMILESCOCc1cc(I)ccc1F
InChIInChI=1S/C8H8FIO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyUWBZFXHNXUEUBD-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 52.58
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-2-(methoxymethyl)-1-propan-2-ylbenzene
CID 146408442
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117303145
2-[4-fluoro-3-(methoxymethyl)phenyl]propan-2-ol
CID 117287840
CID 155601533
CID 155601533
1-fluoro-4-iodo-2-(nitrosomethyl)benzene
CID 90707438
1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide
CID 68767832
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111108944
1,2-difluoro-4-iodobenzene
CID 2724444
1,3-diethyl-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111108952
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
1-[(2-fluoro-5-iodophenyl)methyl]-2-phenylhydrazine
CID 169384471

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-iodo-2-(methoxymethyl)benzene?
The IUPAC name of 1-fluoro-4-iodo-2-(methoxymethyl)benzene (CID 146035295) is 1-fluoro-4-iodo-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-fluoro-4-iodo-2-(methoxymethyl)benzene?
The canonical SMILES for 1-fluoro-4-iodo-2-(methoxymethyl)benzene is COCc1cc(I)ccc1F.
What is the InChIKey of 1-fluoro-4-iodo-2-(methoxymethyl)benzene?
The InChIKey is UWBZFXHNXUEUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3.
What are the key properties of 1-fluoro-4-iodo-2-(methoxymethyl)benzene?
1-fluoro-4-iodo-2-(methoxymethyl)benzene has a molecular weight of 266.05 g/mol, XLogP of 2.58, 2 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-(methoxymethyl)benzene is sourced from PubChem (CID 146035295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).