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

C17H20FS+ — CID 24796343

IUPACfluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1cc([S+](CF)c2ccccc2)c(C)c(C)c1C
InChIInChI=1S/C17H20FS/c1-12-10-17(15(4)14(3)13(12)2)19(11-18)16-8-6-5-7-9-16/h5-10H,11H2,1-4H3/q+1
InChIKeyDWHKSVIBOKNYOK-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.88
Rot. Bonds3

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

fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium (PubChem CID 24796343) has the molecular formula C17H20FS+ and a molecular weight of 275.41 g/mol. Its IUPAC name is fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium.

Molecular Properties

Compound Namefluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
PubChem CID24796343
Molecular FormulaC17H20FS+
Molecular Weight275.41 g/mol
Exact Mass275.13
IUPAC Namefluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1cc([S+](CF)c2ccccc2)c(C)c(C)c1C
InChIInChI=1S/C17H20FS/c1-12-10-17(15(4)14(3)13(12)2)19(11-18)16-8-6-5-7-9-16/h5-10H,11H2,1-4H3/q+1
InChIKeyDWHKSVIBOKNYOK-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.88
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 fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The IUPAC name of fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium (CID 24796343) is fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium.
What is the SMILES notation for fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The canonical SMILES for fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium is Cc1cc([S+](CF)c2ccccc2)c(C)c(C)c1C.
What is the InChIKey of fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The InChIKey is DWHKSVIBOKNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FS/c1-12-10-17(15(4)14(3)13(12)2)19(11-18)16-8-6-5-7-9-16/h5-10H,11H2,1-4H3/q+1.
What are the key properties of fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium has a molecular weight of 275.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium is sourced from PubChem (CID 24796343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).