fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate

C18H24BF5S — CID 162185007

IUPACfluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate
SMILESCC(C)C.Cc1ccc([S+](CF)c2ccccc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C14H14FS.C4H10.BF4/c1-12-7-9-14(10-8-12)16(11-15)13-5-3-2-4-6-13;1-4(2)3;2-1(3,4)5/h2-10H,11H2,1H3;4H,1-3H3;/q+1;;-1
InChIKeyZPNUBMKUCLLPFZ-UHFFFAOYSA-N
MW378.26 g/mol
LogP6.92
Rot. Bonds3

About fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate

fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate (PubChem CID 162185007) has the molecular formula C18H24BF5S and a molecular weight of 378.26 g/mol. Its IUPAC name is fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate.

Molecular Properties

Compound Namefluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate
PubChem CID162185007
Molecular FormulaC18H24BF5S
Molecular Weight378.26 g/mol
Exact Mass378.16
IUPAC Namefluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate
SMILESCC(C)C.Cc1ccc([S+](CF)c2ccccc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C14H14FS.C4H10.BF4/c1-12-7-9-14(10-8-12)16(11-15)13-5-3-2-4-6-13;1-4(2)3;2-1(3,4)5/h2-10H,11H2,1H3;4H,1-3H3;/q+1;;-1
InChIKeyZPNUBMKUCLLPFZ-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 56.92
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'}

Analyze fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate?
The IUPAC name of fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate (CID 162185007) is fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate.
What is the SMILES notation for fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate?
The canonical SMILES for fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate is CC(C)C.Cc1ccc([S+](CF)c2ccccc2)cc1.F[B-](F)(F)F.
What is the InChIKey of fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate?
The InChIKey is ZPNUBMKUCLLPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FS.C4H10.BF4/c1-12-7-9-14(10-8-12)16(11-15)13-5-3-2-4-6-13;1-4(2)3;2-1(3,4)5/h2-10H,11H2,1H3;4H,1-3H3;/q+1;;-1.
What are the key properties of fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate?
fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate has a molecular weight of 378.26 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate is sourced from PubChem (CID 162185007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).