diphenyl(2,2,2-trifluoroethyl)sulfanium

C14H12F3S+ — CID 20802361

IUPACdiphenyl(2,2,2-trifluoroethyl)sulfanium
SMILESFC(F)(F)C[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12F3S/c15-14(16,17)11-18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2/q+1
InChIKeyCXTJJHIBYIHCCO-UHFFFAOYSA-N
MW269.31 g/mol
LogP4.29
Rot. Bonds3

About diphenyl(2,2,2-trifluoroethyl)sulfanium

diphenyl(2,2,2-trifluoroethyl)sulfanium (PubChem CID 20802361) has the molecular formula C14H12F3S+ and a molecular weight of 269.31 g/mol. Its IUPAC name is diphenyl(2,2,2-trifluoroethyl)sulfanium.

Molecular Properties

Compound Namediphenyl(2,2,2-trifluoroethyl)sulfanium
PubChem CID20802361
Molecular FormulaC14H12F3S+
Molecular Weight269.31 g/mol
Exact Mass269.06
IUPAC Namediphenyl(2,2,2-trifluoroethyl)sulfanium
SMILESFC(F)(F)C[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12F3S/c15-14(16,17)11-18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2/q+1
InChIKeyCXTJJHIBYIHCCO-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfide
CID 8766
Diphenyl sulfoxide
CID 13679
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
Cyclopropyl phenyl sulfide
CID 123348
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
[(Difluoromethyl)thio]benzene
CID 73752
S-Allylthiobenzene
CID 79180
4,4'-Thiobisbenzenethiol
CID 619483
Benzene, (butylthio)-
CID 136905

Frequently Asked Questions

What is the IUPAC name of diphenyl(2,2,2-trifluoroethyl)sulfanium?
The IUPAC name of diphenyl(2,2,2-trifluoroethyl)sulfanium (CID 20802361) is diphenyl(2,2,2-trifluoroethyl)sulfanium.
What is the SMILES notation for diphenyl(2,2,2-trifluoroethyl)sulfanium?
The canonical SMILES for diphenyl(2,2,2-trifluoroethyl)sulfanium is FC(F)(F)C[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(2,2,2-trifluoroethyl)sulfanium?
The InChIKey is CXTJJHIBYIHCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3S/c15-14(16,17)11-18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2/q+1.
What are the key properties of diphenyl(2,2,2-trifluoroethyl)sulfanium?
diphenyl(2,2,2-trifluoroethyl)sulfanium has a molecular weight of 269.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(2,2,2-trifluoroethyl)sulfanium is sourced from PubChem (CID 20802361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).