3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene

C17H9ClF4S2 — CID 12766304

IUPAC3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene
SMILESFc1ccc(-c2sc(SC(F)(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H9ClF4S2/c18-12-5-1-10(2-6-12)14-9-15(24-17(20,21)22)23-16(14)11-3-7-13(19)8-4-11/h1-9H
InChIKeyCYNXACZRYBVQEU-UHFFFAOYSA-N
MW388.84 g/mol
LogP7.49
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene

3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene (PubChem CID 12766304) has the molecular formula C17H9ClF4S2 and a molecular weight of 388.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene
PubChem CID12766304
Molecular FormulaC17H9ClF4S2
Molecular Weight388.84 g/mol
Exact Mass387.98
IUPAC Name3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene
SMILESFc1ccc(-c2sc(SC(F)(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H9ClF4S2/c18-12-5-1-10(2-6-12)14-9-15(24-17(20,21)22)23-16(14)11-3-7-13(19)8-4-11/h1-9H
InChIKeyCYNXACZRYBVQEU-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.84
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)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 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene (CID 12766304) is 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene is Fc1ccc(-c2sc(SC(F)(F)F)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene?
The InChIKey is CYNXACZRYBVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4S2/c18-12-5-1-10(2-6-12)14-9-15(24-17(20,21)22)23-16(14)11-3-7-13(19)8-4-11/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene?
3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene has a molecular weight of 388.84 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene is sourced from PubChem (CID 12766304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).