[2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene

C20H15F3S2 — CID 11068839

IUPAC[2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene
SMILESFC(F)(F)C(Sc1ccccc1)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F3S2/c21-20(22,23)19(16-10-4-1-5-11-16,24-17-12-6-2-7-13-17)25-18-14-8-3-9-15-18/h1-15H
InChIKeyKJLFZCDDDGERBF-UHFFFAOYSA-N
MW376.47 g/mol
LogP6.99
Rot. Bonds5

About [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene

[2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene (PubChem CID 11068839) has the molecular formula C20H15F3S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene.

Molecular Properties

Compound Name[2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene
PubChem CID11068839
Molecular FormulaC20H15F3S2
Molecular Weight376.47 g/mol
Exact Mass376.06
IUPAC Name[2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene
SMILESFC(F)(F)C(Sc1ccccc1)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F3S2/c21-20(22,23)19(16-10-4-1-5-11-16,24-17-12-6-2-7-13-17)25-18-14-8-3-9-15-18/h1-15H
InChIKeyKJLFZCDDDGERBF-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene?
The IUPAC name of [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene (CID 11068839) is [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene.
What is the SMILES notation for [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene?
The canonical SMILES for [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene is FC(F)(F)C(Sc1ccccc1)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene?
The InChIKey is KJLFZCDDDGERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3S2/c21-20(22,23)19(16-10-4-1-5-11-16,24-17-12-6-2-7-13-17)25-18-14-8-3-9-15-18/h1-15H.
What are the key properties of [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene?
[2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene has a molecular weight of 376.47 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1,1-bis(phenylsulfanyl)ethyl]benzene is sourced from PubChem (CID 11068839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).