1-phenoxy-2-(trifluoromethylsulfinyl)benzene

C13H9F3O2S — CID 19987724

IUPAC1-phenoxy-2-(trifluoromethylsulfinyl)benzene
SMILESO=S(c1ccccc1Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H9F3O2S/c14-13(15,16)19(17)12-9-5-4-8-11(12)18-10-6-2-1-3-7-10/h1-9H
InChIKeyKBHLARXMHKMHCL-UHFFFAOYSA-N
MW286.27 g/mol
LogP4.11
Rot. Bonds3

About 1-phenoxy-2-(trifluoromethylsulfinyl)benzene

1-phenoxy-2-(trifluoromethylsulfinyl)benzene (PubChem CID 19987724) has the molecular formula C13H9F3O2S and a molecular weight of 286.27 g/mol. Its IUPAC name is 1-phenoxy-2-(trifluoromethylsulfinyl)benzene.

Molecular Properties

Compound Name1-phenoxy-2-(trifluoromethylsulfinyl)benzene
PubChem CID19987724
Molecular FormulaC13H9F3O2S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name1-phenoxy-2-(trifluoromethylsulfinyl)benzene
SMILESO=S(c1ccccc1Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H9F3O2S/c14-13(15,16)19(17)12-9-5-4-8-11(12)18-10-6-2-1-3-7-10/h1-9H
InChIKeyKBHLARXMHKMHCL-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenoxy-2-(trifluoromethylsulfinyl)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-phenoxy-2-(trifluoromethylsulfinyl)benzene?
The IUPAC name of 1-phenoxy-2-(trifluoromethylsulfinyl)benzene (CID 19987724) is 1-phenoxy-2-(trifluoromethylsulfinyl)benzene.
What is the SMILES notation for 1-phenoxy-2-(trifluoromethylsulfinyl)benzene?
The canonical SMILES for 1-phenoxy-2-(trifluoromethylsulfinyl)benzene is O=S(c1ccccc1Oc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-phenoxy-2-(trifluoromethylsulfinyl)benzene?
The InChIKey is KBHLARXMHKMHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2S/c14-13(15,16)19(17)12-9-5-4-8-11(12)18-10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-phenoxy-2-(trifluoromethylsulfinyl)benzene?
1-phenoxy-2-(trifluoromethylsulfinyl)benzene has a molecular weight of 286.27 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-2-(trifluoromethylsulfinyl)benzene is sourced from PubChem (CID 19987724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).