4-ethoxy-2-(trifluoromethyl)thiophene

C7H7F3OS — CID 68619089

IUPAC4-ethoxy-2-(trifluoromethyl)thiophene
SMILESCCOc1csc(C(F)(F)F)c1
InChIInChI=1S/C7H7F3OS/c1-2-11-5-3-6(12-4-5)7(8,9)10/h3-4H,2H2,1H3
InChIKeyXLJNQIHWSUAHCM-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.17
Rot. Bonds2

About 4-ethoxy-2-(trifluoromethyl)thiophene

4-ethoxy-2-(trifluoromethyl)thiophene (PubChem CID 68619089) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 4-ethoxy-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name4-ethoxy-2-(trifluoromethyl)thiophene
PubChem CID68619089
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name4-ethoxy-2-(trifluoromethyl)thiophene
SMILESCCOc1csc(C(F)(F)F)c1
InChIInChI=1S/C7H7F3OS/c1-2-11-5-3-6(12-4-5)7(8,9)10/h3-4H,2H2,1H3
InChIKeyXLJNQIHWSUAHCM-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(trifluoromethyl)thiophene?
The IUPAC name of 4-ethoxy-2-(trifluoromethyl)thiophene (CID 68619089) is 4-ethoxy-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 4-ethoxy-2-(trifluoromethyl)thiophene?
The canonical SMILES for 4-ethoxy-2-(trifluoromethyl)thiophene is CCOc1csc(C(F)(F)F)c1.
What is the InChIKey of 4-ethoxy-2-(trifluoromethyl)thiophene?
The InChIKey is XLJNQIHWSUAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c1-2-11-5-3-6(12-4-5)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of 4-ethoxy-2-(trifluoromethyl)thiophene?
4-ethoxy-2-(trifluoromethyl)thiophene has a molecular weight of 196.19 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 68619089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).