5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde

C13H8FNO3 — CID 169335304

IUPAC5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)c3c(c2)C(=O)NC3)o1
InChIInChI=1S/C13H8FNO3/c14-11-4-7(12-2-1-8(6-16)18-12)3-9-10(11)5-15-13(9)17/h1-4,6H,5H2,(H,15,17)
InChIKeyOQVXLFHUROZEGG-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.14
Rot. Bonds2

About 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde

5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde (PubChem CID 169335304) has the molecular formula C13H8FNO3 and a molecular weight of 245.21 g/mol. Its IUPAC name is 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde
PubChem CID169335304
Molecular FormulaC13H8FNO3
Molecular Weight245.21 g/mol
Exact Mass245.05
IUPAC Name5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)c3c(c2)C(=O)NC3)o1
InChIInChI=1S/C13H8FNO3/c14-11-4-7(12-2-1-8(6-16)18-12)3-9-10(11)5-15-13(9)17/h1-4,6H,5H2,(H,15,17)
InChIKeyOQVXLFHUROZEGG-UHFFFAOYSA-N
XLogP2.14
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde (CID 169335304) is 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(F)c3c(c2)C(=O)NC3)o1.
What is the InChIKey of 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde?
The InChIKey is OQVXLFHUROZEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3/c14-11-4-7(12-2-1-8(6-16)18-12)3-9-10(11)5-15-13(9)17/h1-4,6H,5H2,(H,15,17).
What are the key properties of 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde?
5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde has a molecular weight of 245.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169335304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).