(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate

C33H25F3O2S — CID 69259562

IUPAC(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C33H25F3O2S/c34-33(35,36)32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)31(37)38-39(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H
InChIKeySLTNFHSDGCOHBE-UHFFFAOYSA-N
MW542.62 g/mol
LogP8.98
Rot. Bonds7

About (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate

(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate (PubChem CID 69259562) has the molecular formula C33H25F3O2S and a molecular weight of 542.62 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate
PubChem CID69259562
Molecular FormulaC33H25F3O2S
Molecular Weight542.62 g/mol
Exact Mass542.15
IUPAC Name(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C33H25F3O2S/c34-33(35,36)32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)31(37)38-39(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H
InChIKeySLTNFHSDGCOHBE-UHFFFAOYSA-N
XLogP8.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.62
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate (CID 69259562) is (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate is O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate?
The InChIKey is SLTNFHSDGCOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3O2S/c34-33(35,36)32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)31(37)38-39(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H.
What are the key properties of (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate?
(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate has a molecular weight of 542.62 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2,2-diphenylpropanoate is sourced from PubChem (CID 69259562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).