methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

C15H13F3O3S — CID 134470305

IUPACmethyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3O3S/c1-9(10-5-3-4-6-11(10)15(16,17)18)21-12-7-8-22-13(12)14(19)20-2/h3-9H,1-2H3
InChIKeyCFRXTYMTYMAYHR-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.69
Rot. Bonds4

About methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate (PubChem CID 134470305) has the molecular formula C15H13F3O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
PubChem CID134470305
Molecular FormulaC15H13F3O3S
Molecular Weight330.33 g/mol
Exact Mass330.05
IUPAC Namemethyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3O3S/c1-9(10-5-3-4-6-11(10)15(16,17)18)21-12-7-8-22-13(12)14(19)20-2/h3-9H,1-2H3
InChIKeyCFRXTYMTYMAYHR-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate (CID 134470305) is methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate is COC(=O)c1sccc1OC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?
The InChIKey is CFRXTYMTYMAYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3S/c1-9(10-5-3-4-6-11(10)15(16,17)18)21-12-7-8-22-13(12)14(19)20-2/h3-9H,1-2H3.
What are the key properties of methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?
methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate has a molecular weight of 330.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate is sourced from PubChem (CID 134470305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).