5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde

C12H8FIO3 — CID 169333694

IUPAC5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
SMILESCOc1c(-c2ccc(C=O)o2)ccc(I)c1F
InChIInChI=1S/C12H8FIO3/c1-16-12-8(3-4-9(14)11(12)13)10-5-2-7(6-15)17-10/h2-6H,1H3
InChIKeyJMFUZHBJKDTAPL-UHFFFAOYSA-N
MW346.10 g/mol
LogP3.51
Rot. Bonds3

About 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde

5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde (PubChem CID 169333694) has the molecular formula C12H8FIO3 and a molecular weight of 346.10 g/mol. Its IUPAC name is 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
PubChem CID169333694
Molecular FormulaC12H8FIO3
Molecular Weight346.10 g/mol
Exact Mass345.95
IUPAC Name5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
SMILESCOc1c(-c2ccc(C=O)o2)ccc(I)c1F
InChIInChI=1S/C12H8FIO3/c1-16-12-8(3-4-9(14)11(12)13)10-5-2-7(6-15)17-10/h2-6H,1H3
InChIKeyJMFUZHBJKDTAPL-UHFFFAOYSA-N
XLogP3.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169332115
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
CID 169335280
methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate
CID 169335186
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,4-difluorophenyl]furan-2-carbaldehyde
CID 169335848
3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
CID 169335091
5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
CID 169334993
5-(2,4-dimethoxy-3-methyl-5-nitrophenyl)furan-2-carbaldehyde
CID 169332956
5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
CID 169332145
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde (CID 169333694) is 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde is COc1c(-c2ccc(C=O)o2)ccc(I)c1F.
What is the InChIKey of 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde?
The InChIKey is JMFUZHBJKDTAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIO3/c1-16-12-8(3-4-9(14)11(12)13)10-5-2-7(6-15)17-10/h2-6H,1H3.
What are the key properties of 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde?
5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde has a molecular weight of 346.10 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).