3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan

C14H11F3O2S — CID 68561457

IUPAC3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1ccoc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2S/c15-14(16,17)13-3-1-12(2-4-13)10-20(18)8-6-11-5-7-19-9-11/h1-9H,10H2/b8-6+
InChIKeyPRQOOBVTNXIPNW-SOFGYWHQSA-N
MW300.30 g/mol
LogP4.22
Rot. Bonds4

About 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan

3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan (PubChem CID 68561457) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan.

Molecular Properties

Compound Name3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan
PubChem CID68561457
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1ccoc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2S/c15-14(16,17)13-3-1-12(2-4-13)10-20(18)8-6-11-5-7-19-9-11/h1-9H,10H2/b8-6+
InChIKeyPRQOOBVTNXIPNW-SOFGYWHQSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan 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-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
The IUPAC name of 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan (CID 68561457) is 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan.
What is the SMILES notation for 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
The canonical SMILES for 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan is O=S(/C=C/c1ccoc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
The InChIKey is PRQOOBVTNXIPNW-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H11F3O2S/c15-14(16,17)13-3-1-12(2-4-13)10-20(18)8-6-11-5-7-19-9-11/h1-9H,10H2/b8-6+.
What are the key properties of 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan has a molecular weight of 300.30 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan is sourced from PubChem (CID 68561457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).