3,4-dimethoxy-2-(trifluoromethyl)thiophene

C7H7F3O2S — CID 91394201

IUPAC3,4-dimethoxy-2-(trifluoromethyl)thiophene
SMILESCOc1csc(C(F)(F)F)c1OC
InChIInChI=1S/C7H7F3O2S/c1-11-4-3-13-6(5(4)12-2)7(8,9)10/h3H,1-2H3
InChIKeyJGSFEWIPAANMLO-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.78
Rot. Bonds2

About 3,4-dimethoxy-2-(trifluoromethyl)thiophene

3,4-dimethoxy-2-(trifluoromethyl)thiophene (PubChem CID 91394201) has the molecular formula C7H7F3O2S and a molecular weight of 212.19 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3,4-dimethoxy-2-(trifluoromethyl)thiophene
PubChem CID91394201
Molecular FormulaC7H7F3O2S
Molecular Weight212.19 g/mol
Exact Mass212.01
IUPAC Name3,4-dimethoxy-2-(trifluoromethyl)thiophene
SMILESCOc1csc(C(F)(F)F)c1OC
InChIInChI=1S/C7H7F3O2S/c1-11-4-3-13-6(5(4)12-2)7(8,9)10/h3H,1-2H3
InChIKeyJGSFEWIPAANMLO-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(trifluoromethyl)thiophene?
The IUPAC name of 3,4-dimethoxy-2-(trifluoromethyl)thiophene (CID 91394201) is 3,4-dimethoxy-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 3,4-dimethoxy-2-(trifluoromethyl)thiophene?
The canonical SMILES for 3,4-dimethoxy-2-(trifluoromethyl)thiophene is COc1csc(C(F)(F)F)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-(trifluoromethyl)thiophene?
The InChIKey is JGSFEWIPAANMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O2S/c1-11-4-3-13-6(5(4)12-2)7(8,9)10/h3H,1-2H3.
What are the key properties of 3,4-dimethoxy-2-(trifluoromethyl)thiophene?
3,4-dimethoxy-2-(trifluoromethyl)thiophene has a molecular weight of 212.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 91394201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).