difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium

C17H19F2S+ — CID 16658699

IUPACdifluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1cc([S+](c2ccccc2)C(F)F)c(C)c(C)c1C
InChIInChI=1S/C17H19F2S/c1-11-10-16(14(4)13(3)12(11)2)20(17(18)19)15-8-6-5-7-9-15/h5-10,17H,1-4H3/q+1
InChIKeyOSHDHIDSJRDPJS-UHFFFAOYSA-N
MW293.40 g/mol
LogP5.18
Rot. Bonds3

About difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium

difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium (PubChem CID 16658699) has the molecular formula C17H19F2S+ and a molecular weight of 293.40 g/mol. Its IUPAC name is difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium.

Molecular Properties

Compound Namedifluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
PubChem CID16658699
Molecular FormulaC17H19F2S+
Molecular Weight293.40 g/mol
Exact Mass293.12
IUPAC Namedifluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1cc([S+](c2ccccc2)C(F)F)c(C)c(C)c1C
InChIInChI=1S/C17H19F2S/c1-11-10-16(14(4)13(3)12(11)2)20(17(18)19)15-8-6-5-7-9-15/h5-10,17H,1-4H3/q+1
InChIKeyOSHDHIDSJRDPJS-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.40
LogP ≤ 55.18
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 difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The IUPAC name of difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium (CID 16658699) is difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium.
What is the SMILES notation for difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The canonical SMILES for difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium is Cc1cc([S+](c2ccccc2)C(F)F)c(C)c(C)c1C.
What is the InChIKey of difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The InChIKey is OSHDHIDSJRDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2S/c1-11-10-16(14(4)13(3)12(11)2)20(17(18)19)15-8-6-5-7-9-15/h5-10,17H,1-4H3/q+1.
What are the key properties of difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium has a molecular weight of 293.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium is sourced from PubChem (CID 16658699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).