1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene

C13H7Cl2F3O3S — CID 57225806

IUPAC1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2c(Cl)cccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C13H7Cl2F3O3S/c14-10-2-1-3-11(15)12(10)21-8-4-6-9(7-5-8)22(19,20)13(16,17)18/h1-7H
InChIKeyYDYNZGDUCPTZAN-UHFFFAOYSA-N
MW371.16 g/mol
LogP5.08
Rot. Bonds3

About 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene

1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene (PubChem CID 57225806) has the molecular formula C13H7Cl2F3O3S and a molecular weight of 371.16 g/mol. Its IUPAC name is 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene
PubChem CID57225806
Molecular FormulaC13H7Cl2F3O3S
Molecular Weight371.16 g/mol
Exact Mass369.94
IUPAC Name1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2c(Cl)cccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C13H7Cl2F3O3S/c14-10-2-1-3-11(15)12(10)21-8-4-6-9(7-5-8)22(19,20)13(16,17)18/h1-7H
InChIKeyYDYNZGDUCPTZAN-UHFFFAOYSA-N
XLogP5.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.16
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dichloro-2-[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 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
The IUPAC name of 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene (CID 57225806) is 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene.
What is the SMILES notation for 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
The canonical SMILES for 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene is O=S(=O)(c1ccc(Oc2c(Cl)cccc2Cl)cc1)C(F)(F)F.
What is the InChIKey of 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
The InChIKey is YDYNZGDUCPTZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O3S/c14-10-2-1-3-11(15)12(10)21-8-4-6-9(7-5-8)22(19,20)13(16,17)18/h1-7H.
What are the key properties of 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene?
1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene has a molecular weight of 371.16 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[4-(trifluoromethylsulfonyl)phenoxy]benzene is sourced from PubChem (CID 57225806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).