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

C17H20BF5S — CID 24796342

IUPACfluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate
SMILESCc1cc([S+](CF)c2ccccc2)c(C)c(C)c1C.F[B-](F)(F)F
InChIInChI=1S/C17H20FS.BF4/c1-12-10-17(15(4)14(3)13(12)2)19(11-18)16-8-6-5-7-9-16;2-1(3,4)5/h5-10H,11H2,1-4H3;/q+1;-1
InChIKeySDWOHFZFPMIYRL-UHFFFAOYSA-N
MW362.22 g/mol
LogP6.18
Rot. Bonds3

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

fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate (PubChem CID 24796342) has the molecular formula C17H20BF5S and a molecular weight of 362.22 g/mol. Its IUPAC name is fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namefluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate
PubChem CID24796342
Molecular FormulaC17H20BF5S
Molecular Weight362.22 g/mol
Exact Mass362.13
IUPAC Namefluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate
SMILESCc1cc([S+](CF)c2ccccc2)c(C)c(C)c1C.F[B-](F)(F)F
InChIInChI=1S/C17H20FS.BF4/c1-12-10-17(15(4)14(3)13(12)2)19(11-18)16-8-6-5-7-9-16;2-1(3,4)5/h5-10H,11H2,1-4H3;/q+1;-1
InChIKeySDWOHFZFPMIYRL-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.22
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate?
The IUPAC name of fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate (CID 24796342) is fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate.
What is the SMILES notation for fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate?
The canonical SMILES for fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate is Cc1cc([S+](CF)c2ccccc2)c(C)c(C)c1C.F[B-](F)(F)F.
What is the InChIKey of fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate?
The InChIKey is SDWOHFZFPMIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FS.BF4/c1-12-10-17(15(4)14(3)13(12)2)19(11-18)16-8-6-5-7-9-16;2-1(3,4)5/h5-10H,11H2,1-4H3;/q+1;-1.
What are the key properties of fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate?
fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium tetrafluoroborate has a molecular weight of 362.22 g/mol, XLogP of 6.18, 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 tetrafluoroborate is sourced from PubChem (CID 24796342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).