3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde

C15H8BrFOS — CID 88993815

IUPAC3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1sc2cc(F)ccc2c1-c1cccc(Br)c1
InChIInChI=1S/C15H8BrFOS/c16-10-3-1-2-9(6-10)15-12-5-4-11(17)7-13(12)19-14(15)8-18/h1-8H
InChIKeyUYHYYOBTJVHUMO-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.28
Rot. Bonds2

About 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde

3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde (PubChem CID 88993815) has the molecular formula C15H8BrFOS and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde
PubChem CID88993815
Molecular FormulaC15H8BrFOS
Molecular Weight335.20 g/mol
Exact Mass333.95
IUPAC Name3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1sc2cc(F)ccc2c1-c1cccc(Br)c1
InChIInChI=1S/C15H8BrFOS/c16-10-3-1-2-9(6-10)15-12-5-4-11(17)7-13(12)19-14(15)8-18/h1-8H
InChIKeyUYHYYOBTJVHUMO-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.28
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-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde (CID 88993815) is 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde is O=Cc1sc2cc(F)ccc2c1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde?
The InChIKey is UYHYYOBTJVHUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFOS/c16-10-3-1-2-9(6-10)15-12-5-4-11(17)7-13(12)19-14(15)8-18/h1-8H.
What are the key properties of 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde?
3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde has a molecular weight of 335.20 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-fluoro-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 88993815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).