1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol

C21H17F3O3S — CID 2765164

IUPAC1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol
SMILESO=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H17F3O3S/c22-21(23,24)18-12-7-13-19(14-18)28(26,27)15-20(25,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,25H,15H2
InChIKeyBRDJNIRLXLJDDU-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.42
Rot. Bonds5

About 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol

1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol (PubChem CID 2765164) has the molecular formula C21H17F3O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol.

Molecular Properties

Compound Name1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol
PubChem CID2765164
Molecular FormulaC21H17F3O3S
Molecular Weight406.43 g/mol
Exact Mass406.09
IUPAC Name1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol
SMILESO=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H17F3O3S/c22-21(23,24)18-12-7-13-19(14-18)28(26,27)15-20(25,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,25H,15H2
InChIKeyBRDJNIRLXLJDDU-UHFFFAOYSA-N
XLogP4.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
The IUPAC name of 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol (CID 2765164) is 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol.
What is the SMILES notation for 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
The canonical SMILES for 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol is O=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
The InChIKey is BRDJNIRLXLJDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3O3S/c22-21(23,24)18-12-7-13-19(14-18)28(26,27)15-20(25,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,25H,15H2.
What are the key properties of 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol has a molecular weight of 406.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanol is sourced from PubChem (CID 2765164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).