[2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol

C15H11F3OS2 — CID 102759046

IUPAC[2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1cc2sccc2s1
InChIInChI=1S/C15H11F3OS2/c1-8-6-9(15(16,17)18)2-3-10(8)14(19)13-7-12-11(21-13)4-5-20-12/h2-7,14,19H,1H3
InChIKeyGCMLRFASIRAXSR-UHFFFAOYSA-N
MW328.38 g/mol
LogP5.37
Rot. Bonds2

About [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol

[2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 102759046) has the molecular formula C15H11F3OS2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID102759046
Molecular FormulaC15H11F3OS2
Molecular Weight328.38 g/mol
Exact Mass328.02
IUPAC Name[2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1cc2sccc2s1
InChIInChI=1S/C15H11F3OS2/c1-8-6-9(15(16,17)18)2-3-10(8)14(19)13-7-12-11(21-13)4-5-20-12/h2-7,14,19H,1H3
InChIKeyGCMLRFASIRAXSR-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.38
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol (CID 102759046) is [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is Cc1cc(C(F)(F)F)ccc1C(O)c1cc2sccc2s1.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is GCMLRFASIRAXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3OS2/c1-8-6-9(15(16,17)18)2-3-10(8)14(19)13-7-12-11(21-13)4-5-20-12/h2-7,14,19H,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol?
[2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 328.38 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 102759046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).