5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde

C16H11FO2 — CID 114077838

IUPAC5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde
SMILESCc1cccc2cc(-c3ccc(F)cc3C=O)oc12
InChIInChI=1S/C16H11FO2/c1-10-3-2-4-11-8-15(19-16(10)11)14-6-5-13(17)7-12(14)9-18/h2-9H,1H3
InChIKeyDITWHHMEOYAGCU-UHFFFAOYSA-N
MW254.26 g/mol
LogP4.36
Rot. Bonds2

About 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde

5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde (PubChem CID 114077838) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde
PubChem CID114077838
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde
SMILESCc1cccc2cc(-c3ccc(F)cc3C=O)oc12
InChIInChI=1S/C16H11FO2/c1-10-3-2-4-11-8-15(19-16(10)11)14-6-5-13(17)7-12(14)9-18/h2-9H,1H3
InChIKeyDITWHHMEOYAGCU-UHFFFAOYSA-N
XLogP4.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 54.36
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 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde (CID 114077838) is 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde is Cc1cccc2cc(-c3ccc(F)cc3C=O)oc12.
What is the InChIKey of 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde?
The InChIKey is DITWHHMEOYAGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c1-10-3-2-4-11-8-15(19-16(10)11)14-6-5-13(17)7-12(14)9-18/h2-9H,1H3.
What are the key properties of 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde?
5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde has a molecular weight of 254.26 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde is sourced from PubChem (CID 114077838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).