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

C18H22FS+ — CID 87429191

IUPACfluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1ccc([S+](CF)c2cc(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C18H22FS/c1-12-6-8-17(9-7-12)20(11-19)18-10-13(2)14(3)15(4)16(18)5/h6-10H,11H2,1-5H3/q+1
InChIKeyCDFBVPLTTONFPN-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.19
Rot. Bonds3

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

fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium (PubChem CID 87429191) has the molecular formula C18H22FS+ and a molecular weight of 289.44 g/mol. Its IUPAC name is fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium.

Molecular Properties

Compound Namefluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium
PubChem CID87429191
Molecular FormulaC18H22FS+
Molecular Weight289.44 g/mol
Exact Mass289.14
IUPAC Namefluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1ccc([S+](CF)c2cc(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C18H22FS/c1-12-6-8-17(9-7-12)20(11-19)18-10-13(2)14(3)15(4)16(18)5/h6-10H,11H2,1-5H3/q+1
InChIKeyCDFBVPLTTONFPN-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.19
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-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium?
The IUPAC name of fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium (CID 87429191) is fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium.
What is the SMILES notation for fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium?
The canonical SMILES for fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium is Cc1ccc([S+](CF)c2cc(C)c(C)c(C)c2C)cc1.
What is the InChIKey of fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium?
The InChIKey is CDFBVPLTTONFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FS/c1-12-6-8-17(9-7-12)20(11-19)18-10-13(2)14(3)15(4)16(18)5/h6-10H,11H2,1-5H3/q+1.
What are the key properties of fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium?
fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium has a molecular weight of 289.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium is sourced from PubChem (CID 87429191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).