2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde

C15H9FOS — CID 172649843

IUPAC2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1-c1cc2ccccc2s1
InChIInChI=1S/C15H9FOS/c16-13-6-3-5-11(12(13)9-17)15-8-10-4-1-2-7-14(10)18-15/h1-9H
InChIKeyDXLKYKKOAKXJLI-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.52
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde

2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde (PubChem CID 172649843) has the molecular formula C15H9FOS and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde
PubChem CID172649843
Molecular FormulaC15H9FOS
Molecular Weight256.30 g/mol
Exact Mass256.04
IUPAC Name2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1-c1cc2ccccc2s1
InChIInChI=1S/C15H9FOS/c16-13-6-3-5-11(12(13)9-17)15-8-10-4-1-2-7-14(10)18-15/h1-9H
InChIKeyDXLKYKKOAKXJLI-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-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde (CID 172649843) is 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde is O=Cc1c(F)cccc1-c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde?
The InChIKey is DXLKYKKOAKXJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FOS/c16-13-6-3-5-11(12(13)9-17)15-8-10-4-1-2-7-14(10)18-15/h1-9H.
What are the key properties of 2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde?
2-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde 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-(1-benzothiophen-2-yl)-6-fluorobenzaldehyde is sourced from PubChem (CID 172649843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).