2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde

C15H9FOS — CID 18357649

IUPAC2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H9FOS/c16-12-5-6-14-11(7-12)8-15(18-14)13-4-2-1-3-10(13)9-17/h1-9H
InChIKeyKRVBCLIQTOGSSG-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.52
Rot. Bonds2

About 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde

2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde (PubChem CID 18357649) has the molecular formula C15H9FOS and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde
PubChem CID18357649
Molecular FormulaC15H9FOS
Molecular Weight256.30 g/mol
Exact Mass256.04
IUPAC Name2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H9FOS/c16-12-5-6-14-11(7-12)8-15(18-14)13-4-2-1-3-10(13)9-17/h1-9H
InChIKeyKRVBCLIQTOGSSG-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.52
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-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde?
The IUPAC name of 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde (CID 18357649) is 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde.
What is the SMILES notation for 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde?
The canonical SMILES for 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde is O=Cc1ccccc1-c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde?
The InChIKey is KRVBCLIQTOGSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FOS/c16-12-5-6-14-11(7-12)8-15(18-14)13-4-2-1-3-10(13)9-17/h1-9H.
What are the key properties of 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde?
2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzothiophen-2-yl)benzaldehyde is sourced from PubChem (CID 18357649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).