methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate

C9H5F3O2S2 — CID 131989180

IUPACmethyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate
SMILESCOC(=O)c1cc2sc(C(F)(F)F)cc2s1
InChIInChI=1S/C9H5F3O2S2/c1-14-8(13)6-2-4-5(15-6)3-7(16-4)9(10,11)12/h2-3H,1H3
InChIKeyONOSOEUAFOUSDI-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.77
Rot. Bonds1

About methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate

methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate (PubChem CID 131989180) has the molecular formula C9H5F3O2S2 and a molecular weight of 266.26 g/mol. Its IUPAC name is methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate
PubChem CID131989180
Molecular FormulaC9H5F3O2S2
Molecular Weight266.26 g/mol
Exact Mass265.97
IUPAC Namemethyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate
SMILESCOC(=O)c1cc2sc(C(F)(F)F)cc2s1
InChIInChI=1S/C9H5F3O2S2/c1-14-8(13)6-2-4-5(15-6)3-7(16-4)9(10,11)12/h2-3H,1H3
InChIKeyONOSOEUAFOUSDI-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-trifluoroacetyl-2-thenoate
CID 24726843
Thieno[3,2-b]thiophene-2,5-dicarboxylic acid
CID 361864
5-Methylthieno(3,2-b)thiophene-2-carboxylic acid
CID 901435
Methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate
CID 2808191
Dimethyl [2,2'-bithiophene]-5,5'-dicarboxylate
CID 4072395
Methyl 5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carboxylate
CID 85529110
Methyl 5-(1,1,2,2,3,3,3-heptafluoropropyl)thiophene-2-carboxylate
CID 85731255
Methyl 5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)thiophene-2-carboxylate
CID 101703570
Methyl thieno(3,2-b)thiophene-2-carboxylate
CID 2739788
Methyl 5-formylthieno[2,3-b]thiophene-2-carboxylate
CID 133057381
Ethyl 5-(bromomethyl)thieno[3,2-b]thiophene-2-carboxylate
CID 137935579
Ethyl 5-(1,3-difluoropropyl)thiophene-2-carboxylate
CID 177852974

Frequently Asked Questions

What is the IUPAC name of methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate?
The IUPAC name of methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate (CID 131989180) is methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate is COC(=O)c1cc2sc(C(F)(F)F)cc2s1.
What is the InChIKey of methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate?
The InChIKey is ONOSOEUAFOUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O2S2/c1-14-8(13)6-2-4-5(15-6)3-7(16-4)9(10,11)12/h2-3H,1H3.
What are the key properties of methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate?
methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate has a molecular weight of 266.26 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate is sourced from PubChem (CID 131989180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).