3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde

C15H9FOS — CID 122476770

IUPAC3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cc3cccc(F)c3s2)c1
InChIInChI=1S/C15H9FOS/c16-13-6-2-5-12-8-14(18-15(12)13)11-4-1-3-10(7-11)9-17/h1-9H
InChIKeyJLDLCNVAKWTJFE-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.52
Rot. Bonds2

About 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde

3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde (PubChem CID 122476770) has the molecular formula C15H9FOS and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde
PubChem CID122476770
Molecular FormulaC15H9FOS
Molecular Weight256.30 g/mol
Exact Mass256.04
IUPAC Name3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cc3cccc(F)c3s2)c1
InChIInChI=1S/C15H9FOS/c16-13-6-2-5-12-8-14(18-15(12)13)11-4-1-3-10(7-11)9-17/h1-9H
InChIKeyJLDLCNVAKWTJFE-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 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde?
The IUPAC name of 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde (CID 122476770) is 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde.
What is the SMILES notation for 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde?
The canonical SMILES for 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde is O=Cc1cccc(-c2cc3cccc(F)c3s2)c1.
What is the InChIKey of 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde?
The InChIKey is JLDLCNVAKWTJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FOS/c16-13-6-2-5-12-8-14(18-15(12)13)11-4-1-3-10(7-11)9-17/h1-9H.
What are the key properties of 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde?
3-(7-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 3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde is sourced from PubChem (CID 122476770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).