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

C12H8BrFO2 — CID 169335342

IUPAC5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)cc(-c2ccc(C=O)o2)c1F
InChIInChI=1S/C12H8BrFO2/c1-7-4-8(13)5-10(12(7)14)11-3-2-9(6-15)16-11/h2-6H,1H3
InChIKeyXEWNLAUWHOPGDK-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.97
Rot. Bonds2

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

5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde (PubChem CID 169335342) has the molecular formula C12H8BrFO2 and a molecular weight of 283.10 g/mol. Its IUPAC name is 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
PubChem CID169335342
Molecular FormulaC12H8BrFO2
Molecular Weight283.10 g/mol
Exact Mass281.97
IUPAC Name5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)cc(-c2ccc(C=O)o2)c1F
InChIInChI=1S/C12H8BrFO2/c1-7-4-8(13)5-10(12(7)14)11-3-2-9(6-15)16-11/h2-6H,1H3
InChIKeyXEWNLAUWHOPGDK-UHFFFAOYSA-N
XLogP3.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559
5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
CID 169335280
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
4-fluoro-2-(5-formylfuran-2-yl)-6-methylbenzonitrile
CID 169334247

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde (CID 169335342) is 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde is Cc1cc(Br)cc(-c2ccc(C=O)o2)c1F.
What is the InChIKey of 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde?
The InChIKey is XEWNLAUWHOPGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2/c1-7-4-8(13)5-10(12(7)14)11-3-2-9(6-15)16-11/h2-6H,1H3.
What are the key properties of 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde?
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde has a molecular weight of 283.10 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169335342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).