5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene

C15H12BrFS2 — CID 171617316

IUPAC5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene
SMILESCCCc1cc2sc(-c3ccc(Br)cc3F)cc2s1
InChIInChI=1S/C15H12BrFS2/c1-2-3-10-7-14-15(18-10)8-13(19-14)11-5-4-9(16)6-12(11)17/h4-8H,2-3H2,1H3
InChIKeyMKYVEQSXHUHMQV-UHFFFAOYSA-N
MW355.30 g/mol
LogP6.48
Rot. Bonds3

About 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene

5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene (PubChem CID 171617316) has the molecular formula C15H12BrFS2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene
PubChem CID171617316
Molecular FormulaC15H12BrFS2
Molecular Weight355.30 g/mol
Exact Mass353.95
IUPAC Name5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene
SMILESCCCc1cc2sc(-c3ccc(Br)cc3F)cc2s1
InChIInChI=1S/C15H12BrFS2/c1-2-3-10-7-14-15(18-10)8-13(19-14)11-5-4-9(16)6-12(11)17/h4-8H,2-3H2,1H3
InChIKeyMKYVEQSXHUHMQV-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.30
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene (CID 171617316) is 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene is CCCc1cc2sc(-c3ccc(Br)cc3F)cc2s1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene?
The InChIKey is MKYVEQSXHUHMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFS2/c1-2-3-10-7-14-15(18-10)8-13(19-14)11-5-4-9(16)6-12(11)17/h4-8H,2-3H2,1H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene?
5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene has a molecular weight of 355.30 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-2-propylthieno[3,2-b]thiophene is sourced from PubChem (CID 171617316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).