3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene

C14H11F3OS — CID 172650390

IUPAC3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene
SMILESC=Cc1cccc(-c2ccsc2)c1OCC(F)(F)F
InChIInChI=1S/C14H11F3OS/c1-2-10-4-3-5-12(11-6-7-19-8-11)13(10)18-9-14(15,16)17/h2-8H,1,9H2
InChIKeyAKGMEEJBRPXZAJ-UHFFFAOYSA-N
MW284.30 g/mol
LogP5.00
Rot. Bonds4

About 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene

3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene (PubChem CID 172650390) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene.

Molecular Properties

Compound Name3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene
PubChem CID172650390
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene
SMILESC=Cc1cccc(-c2ccsc2)c1OCC(F)(F)F
InChIInChI=1S/C14H11F3OS/c1-2-10-4-3-5-12(11-6-7-19-8-11)13(10)18-9-14(15,16)17/h2-8H,1,9H2
InChIKeyAKGMEEJBRPXZAJ-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene?
The IUPAC name of 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene (CID 172650390) is 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene.
What is the SMILES notation for 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene?
The canonical SMILES for 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene is C=Cc1cccc(-c2ccsc2)c1OCC(F)(F)F.
What is the InChIKey of 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene?
The InChIKey is AKGMEEJBRPXZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c1-2-10-4-3-5-12(11-6-7-19-8-11)13(10)18-9-14(15,16)17/h2-8H,1,9H2.
What are the key properties of 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene?
3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene has a molecular weight of 284.30 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethenyl-2-(2,2,2-trifluoroethoxy)phenyl]thiophene is sourced from PubChem (CID 172650390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).