diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium

C16H12F7S+ — CID 20802364

IUPACdiphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium
SMILESFC(F)(F)C(F)(C[S+](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12F7S/c17-14(15(18,19)20,16(21,22)23)11-24(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2/q+1
InChIKeyINGKPZJZFBEUSI-UHFFFAOYSA-N
MW369.32 g/mol
LogP5.56
Rot. Bonds4

About diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium

diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium (PubChem CID 20802364) has the molecular formula C16H12F7S+ and a molecular weight of 369.32 g/mol. Its IUPAC name is diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium
PubChem CID20802364
Molecular FormulaC16H12F7S+
Molecular Weight369.32 g/mol
Exact Mass369.05
IUPAC Namediphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium
SMILESFC(F)(F)C(F)(C[S+](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12F7S/c17-14(15(18,19)20,16(21,22)23)11-24(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2/q+1
InChIKeyINGKPZJZFBEUSI-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.32
LogP ≤ 55.56
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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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium?
The IUPAC name of diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium (CID 20802364) is diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium.
What is the SMILES notation for diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium?
The canonical SMILES for diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium is FC(F)(F)C(F)(C[S+](c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium?
The InChIKey is INGKPZJZFBEUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F7S/c17-14(15(18,19)20,16(21,22)23)11-24(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-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium?
diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium has a molecular weight of 369.32 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]sulfanium is sourced from PubChem (CID 20802364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).