3-fluoro-4-iodo-2-methylbenzaldehyde

C8H6FIO — CID 164892060

IUPAC3-fluoro-4-iodo-2-methylbenzaldehyde
SMILESCc1c(C=O)ccc(I)c1F
InChIInChI=1S/C8H6FIO/c1-5-6(4-11)2-3-7(10)8(5)9/h2-4H,1H3
InChIKeyWULKHDPUTAOJIA-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.55
Rot. Bonds1

About 3-fluoro-4-iodo-2-methylbenzaldehyde

3-fluoro-4-iodo-2-methylbenzaldehyde (PubChem CID 164892060) has the molecular formula C8H6FIO and a molecular weight of 264.04 g/mol. Its IUPAC name is 3-fluoro-4-iodo-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-iodo-2-methylbenzaldehyde
PubChem CID164892060
Molecular FormulaC8H6FIO
Molecular Weight264.04 g/mol
Exact Mass263.94
IUPAC Name3-fluoro-4-iodo-2-methylbenzaldehyde
SMILESCc1c(C=O)ccc(I)c1F
InChIInChI=1S/C8H6FIO/c1-5-6(4-11)2-3-7(10)8(5)9/h2-4H,1H3
InChIKeyWULKHDPUTAOJIA-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-iodo-2-methylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-iodoterephthalaldehyde
CID 171013369
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903
4-fluoro-2-methyl-3-nitrosobenzaldehyde
CID 175381308
2-fluoro-5-iodo-3-methylbenzaldehyde
CID 164891132
3-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191
4-fluoro-2-methylbenzaldehyde
CID 2783217
2,5-difluoro-3-iodobenzaldehyde
CID 119015446
2,3-dimethyl-4-pyrrolidin-1-ylbenzaldehyde
CID 6500386
2-methyl-3-(methyliminomethyl)benzaldehyde
CID 169204727
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
2-chloro-3-fluoroterephthalaldehyde
CID 87294341

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-2-methylbenzaldehyde?
The IUPAC name of 3-fluoro-4-iodo-2-methylbenzaldehyde (CID 164892060) is 3-fluoro-4-iodo-2-methylbenzaldehyde.
What is the SMILES notation for 3-fluoro-4-iodo-2-methylbenzaldehyde?
The canonical SMILES for 3-fluoro-4-iodo-2-methylbenzaldehyde is Cc1c(C=O)ccc(I)c1F.
What is the InChIKey of 3-fluoro-4-iodo-2-methylbenzaldehyde?
The InChIKey is WULKHDPUTAOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO/c1-5-6(4-11)2-3-7(10)8(5)9/h2-4H,1H3.
What are the key properties of 3-fluoro-4-iodo-2-methylbenzaldehyde?
3-fluoro-4-iodo-2-methylbenzaldehyde has a molecular weight of 264.04 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-2-methylbenzaldehyde is sourced from PubChem (CID 164892060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).