3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene

C13H15F3S2 — CID 155308148

IUPAC3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene
SMILESCc1csc2c(C)c(CC(C)(C)C(F)(F)F)sc12
InChIInChI=1S/C13H15F3S2/c1-7-6-17-11-8(2)9(18-10(7)11)5-12(3,4)13(14,15)16/h6H,5H2,1-4H3
InChIKeyPBWPMKXKHDTQRB-UHFFFAOYSA-N
MW292.39 g/mol
LogP5.71
Rot. Bonds2

About 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene

3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene (PubChem CID 155308148) has the molecular formula C13H15F3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene
PubChem CID155308148
Molecular FormulaC13H15F3S2
Molecular Weight292.39 g/mol
Exact Mass292.06
IUPAC Name3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene
SMILESCc1csc2c(C)c(CC(C)(C)C(F)(F)F)sc12
InChIInChI=1S/C13H15F3S2/c1-7-6-17-11-8(2)9(18-10(7)11)5-12(3,4)13(14,15)16/h6H,5H2,1-4H3
InChIKeyPBWPMKXKHDTQRB-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.39
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[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 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene?
The IUPAC name of 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene (CID 155308148) is 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene?
The canonical SMILES for 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene is Cc1csc2c(C)c(CC(C)(C)C(F)(F)F)sc12.
What is the InChIKey of 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene?
The InChIKey is PBWPMKXKHDTQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3S2/c1-7-6-17-11-8(2)9(18-10(7)11)5-12(3,4)13(14,15)16/h6H,5H2,1-4H3.
What are the key properties of 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene?
3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene has a molecular weight of 292.39 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 155308148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).