5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde

C11H5BrFIO2 — CID 169335394

IUPAC5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(Br)c2I)o1
InChIInChI=1S/C11H5BrFIO2/c12-9-4-6(13)3-8(11(9)14)10-2-1-7(5-15)16-10/h1-5H
InChIKeyIBUTZRMIHFNJAV-UHFFFAOYSA-N
MW394.97 g/mol
LogP4.27
Rot. Bonds2

About 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde

5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde (PubChem CID 169335394) has the molecular formula C11H5BrFIO2 and a molecular weight of 394.97 g/mol. Its IUPAC name is 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
PubChem CID169335394
Molecular FormulaC11H5BrFIO2
Molecular Weight394.97 g/mol
Exact Mass393.85
IUPAC Name5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(Br)c2I)o1
InChIInChI=1S/C11H5BrFIO2/c12-9-4-6(13)3-8(11(9)14)10-2-1-7(5-15)16-10/h1-5H
InChIKeyIBUTZRMIHFNJAV-UHFFFAOYSA-N
XLogP4.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
4-fluoro-2-(5-formylfuran-2-yl)-6-methylbenzonitrile
CID 169334247
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
CID 106886524
5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
CID 169333305

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde (CID 169335394) is 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(F)cc(Br)c2I)o1.
What is the InChIKey of 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde?
The InChIKey is IBUTZRMIHFNJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFIO2/c12-9-4-6(13)3-8(11(9)14)10-2-1-7(5-15)16-10/h1-5H.
What are the key properties of 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde?
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde has a molecular weight of 394.97 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169335394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).