4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde

C14H8F2I2O2 — CID 122645048

IUPAC4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde
SMILESCOc1cc(I)c(F)cc1-c1cc(F)c(I)cc1C=O
InChIInChI=1S/C14H8F2I2O2/c1-20-14-5-13(18)11(16)4-9(14)8-3-10(15)12(17)2-7(8)6-19/h2-6H,1H3
InChIKeyFHOQAJLKUXHVRV-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.66
Rot. Bonds3

About 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde

4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde (PubChem CID 122645048) has the molecular formula C14H8F2I2O2 and a molecular weight of 500.02 g/mol. Its IUPAC name is 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde
PubChem CID122645048
Molecular FormulaC14H8F2I2O2
Molecular Weight500.02 g/mol
Exact Mass499.86
IUPAC Name4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde
SMILESCOc1cc(I)c(F)cc1-c1cc(F)c(I)cc1C=O
InChIInChI=1S/C14H8F2I2O2/c1-20-14-5-13(18)11(16)4-9(14)8-3-10(15)12(17)2-7(8)6-19/h2-6H,1H3
InChIKeyFHOQAJLKUXHVRV-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
2-ethoxy-4-fluoro-5-iodobenzaldehyde
CID 131313075
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde?
The IUPAC name of 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde (CID 122645048) is 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde.
What is the SMILES notation for 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde?
The canonical SMILES for 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde is COc1cc(I)c(F)cc1-c1cc(F)c(I)cc1C=O.
What is the InChIKey of 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde?
The InChIKey is FHOQAJLKUXHVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2I2O2/c1-20-14-5-13(18)11(16)4-9(14)8-3-10(15)12(17)2-7(8)6-19/h2-6H,1H3.
What are the key properties of 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde?
4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde has a molecular weight of 500.02 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde is sourced from PubChem (CID 122645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).