5-fluoro-2-(2-phenylethynyl)benzaldehyde

C15H9FO — CID 46237651

IUPAC5-fluoro-2-(2-phenylethynyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1C#Cc1ccccc1
InChIInChI=1S/C15H9FO/c16-15-9-8-13(14(10-15)11-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChIKeyCVVZKIZTBMTKLW-UHFFFAOYSA-N
MW224.23 g/mol
LogP3.04
Rot. Bonds1

About 5-fluoro-2-(2-phenylethynyl)benzaldehyde

5-fluoro-2-(2-phenylethynyl)benzaldehyde (PubChem CID 46237651) has the molecular formula C15H9FO and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-fluoro-2-(2-phenylethynyl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-phenylethynyl)benzaldehyde
PubChem CID46237651
Molecular FormulaC15H9FO
Molecular Weight224.23 g/mol
Exact Mass224.06
IUPAC Name5-fluoro-2-(2-phenylethynyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1C#Cc1ccccc1
InChIInChI=1S/C15H9FO/c16-15-9-8-13(14(10-15)11-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChIKeyCVVZKIZTBMTKLW-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phthalaldehyde
CID 4807
2-Methylbenzaldehyde
CID 10722
1-Naphthaldehyde
CID 6195
(1,1'-Biphenyl)-4-carboxaldehyde
CID 76689
4-Fluorobenzaldehyde
CID 68023
1,3-Diphenyl-2-propyn-1-one
CID 97637
o-Fluorobenzaldehyde
CID 67970
o-(Trifluoromethyl)benzaldehyde
CID 123067
3-Phenylbenzaldehyde
CID 121053
(1,1'-Biphenyl)-2,2'-dicarboxaldehyde
CID 14585
(1,1'-Biphenyl)-2-carboxaldehyde
CID 121052
4-Fluorochalcone
CID 5366988

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-phenylethynyl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(2-phenylethynyl)benzaldehyde (CID 46237651) is 5-fluoro-2-(2-phenylethynyl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-phenylethynyl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(2-phenylethynyl)benzaldehyde is O=Cc1cc(F)ccc1C#Cc1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-phenylethynyl)benzaldehyde?
The InChIKey is CVVZKIZTBMTKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO/c16-15-9-8-13(14(10-15)11-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H.
What are the key properties of 5-fluoro-2-(2-phenylethynyl)benzaldehyde?
5-fluoro-2-(2-phenylethynyl)benzaldehyde has a molecular weight of 224.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-phenylethynyl)benzaldehyde is sourced from PubChem (CID 46237651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).