2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde

C15H11F3OS — CID 162540000

IUPAC2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde
SMILESO=CC(SC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11F3OS/c16-15(17,18)20-14(11-19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyVIABPZXXYOZACV-UHFFFAOYSA-N
MW296.31 g/mol
LogP4.38
Rot. Bonds4

About 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde

2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde (PubChem CID 162540000) has the molecular formula C15H11F3OS and a molecular weight of 296.31 g/mol. Its IUPAC name is 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde.

Molecular Properties

Compound Name2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde
PubChem CID162540000
Molecular FormulaC15H11F3OS
Molecular Weight296.31 g/mol
Exact Mass296.05
IUPAC Name2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde
SMILESO=CC(SC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11F3OS/c16-15(17,18)20-14(11-19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyVIABPZXXYOZACV-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde?
The IUPAC name of 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde (CID 162540000) is 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde.
What is the SMILES notation for 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde?
The canonical SMILES for 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde is O=CC(SC(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde?
The InChIKey is VIABPZXXYOZACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3OS/c16-15(17,18)20-14(11-19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde?
2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde has a molecular weight of 296.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde is sourced from PubChem (CID 162540000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).