2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde

C11H9FO2 — CID 170481762

IUPAC2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde
SMILESO=CCC=Cc1cccc(F)c1C=O
InChIInChI=1S/C11H9FO2/c12-11-6-3-5-9(10(11)8-14)4-1-2-7-13/h1,3-8H,2H2
InChIKeyAJIZEWFJZGJZIC-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.24
Rot. Bonds4

About 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde

2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde (PubChem CID 170481762) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde
PubChem CID170481762
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde
SMILESO=CCC=Cc1cccc(F)c1C=O
InChIInChI=1S/C11H9FO2/c12-11-6-3-5-9(10(11)8-14)4-1-2-7-13/h1,3-8H,2H2
InChIKeyAJIZEWFJZGJZIC-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde?
The IUPAC name of 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde (CID 170481762) is 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde?
The canonical SMILES for 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde is O=CCC=Cc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde?
The InChIKey is AJIZEWFJZGJZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c12-11-6-3-5-9(10(11)8-14)4-1-2-7-13/h1,3-8H,2H2.
What are the key properties of 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde?
2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde has a molecular weight of 192.19 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde is sourced from PubChem (CID 170481762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).