2-fluoro-1,5-diiodo-3-methoxybenzene

C7H5FI2O — CID 130984918

IUPAC2-fluoro-1,5-diiodo-3-methoxybenzene
SMILESCOc1cc(I)cc(I)c1F
InChIInChI=1S/C7H5FI2O/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3H,1H3
InChIKeySWZQOSJANHTNSN-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.04
Rot. Bonds1

About 2-fluoro-1,5-diiodo-3-methoxybenzene

2-fluoro-1,5-diiodo-3-methoxybenzene (PubChem CID 130984918) has the molecular formula C7H5FI2O and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-fluoro-1,5-diiodo-3-methoxybenzene.

Molecular Properties

Compound Name2-fluoro-1,5-diiodo-3-methoxybenzene
PubChem CID130984918
Molecular FormulaC7H5FI2O
Molecular Weight377.92 g/mol
Exact Mass377.84
IUPAC Name2-fluoro-1,5-diiodo-3-methoxybenzene
SMILESCOc1cc(I)cc(I)c1F
InChIInChI=1S/C7H5FI2O/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3H,1H3
InChIKeySWZQOSJANHTNSN-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-iodo-3-methoxy-5-methylbenzene
CID 67684213
5-bromo-2-fluoro-1-iodo-3-methoxybenzene
CID 162421202
2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene
CID 171367916
2-fluoro-5-iodo-3-methoxybenzonitrile
CID 131285030
2,4-diiodo-6-methoxyaniline
CID 118990977
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
(2,3-difluoro-4-iodo-6-methoxyphenyl)-trimethylsilane
CID 164891648
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
ethyl 2-fluoro-5-iodo-3-methoxybenzoate
CID 164891233
1,4-diiodo-2-methoxybenzene
CID 23154690
4-fluoro-3-iodo-5-methoxypyridine
CID 130822941
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,5-diiodo-3-methoxybenzene?
The IUPAC name of 2-fluoro-1,5-diiodo-3-methoxybenzene (CID 130984918) is 2-fluoro-1,5-diiodo-3-methoxybenzene.
What is the SMILES notation for 2-fluoro-1,5-diiodo-3-methoxybenzene?
The canonical SMILES for 2-fluoro-1,5-diiodo-3-methoxybenzene is COc1cc(I)cc(I)c1F.
What is the InChIKey of 2-fluoro-1,5-diiodo-3-methoxybenzene?
The InChIKey is SWZQOSJANHTNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FI2O/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3H,1H3.
What are the key properties of 2-fluoro-1,5-diiodo-3-methoxybenzene?
2-fluoro-1,5-diiodo-3-methoxybenzene has a molecular weight of 377.92 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,5-diiodo-3-methoxybenzene is sourced from PubChem (CID 130984918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).