1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene

C19H13F3O3S — CID 18996463

IUPAC1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C19H13F3O3S/c20-19(21,22)26(23,24)18-12-10-17(11-13-18)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyAZYVWCZUDSDOHL-UHFFFAOYSA-N
MW378.37 g/mol
LogP5.44
Rot. Bonds4

About 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene

1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene (PubChem CID 18996463) has the molecular formula C19H13F3O3S and a molecular weight of 378.37 g/mol. Its IUPAC name is 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene.

Molecular Properties

Compound Name1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
PubChem CID18996463
Molecular FormulaC19H13F3O3S
Molecular Weight378.37 g/mol
Exact Mass378.05
IUPAC Name1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C19H13F3O3S/c20-19(21,22)26(23,24)18-12-10-17(11-13-18)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyAZYVWCZUDSDOHL-UHFFFAOYSA-N
XLogP5.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.37
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene 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 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
The IUPAC name of 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene (CID 18996463) is 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene.
What is the SMILES notation for 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
The canonical SMILES for 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene is O=S(=O)(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)C(F)(F)F.
What is the InChIKey of 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
The InChIKey is AZYVWCZUDSDOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O3S/c20-19(21,22)26(23,24)18-12-10-17(11-13-18)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene has a molecular weight of 378.37 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene is sourced from PubChem (CID 18996463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).