diethyl(naphthalen-1-yl)sulfanium;fluoroform

C15H18F3S+ — CID 162621913

IUPACdiethyl(naphthalen-1-yl)sulfanium;fluoroform
SMILESCC[S+](CC)c1cccc2ccccc12.FC(F)F
InChIInChI=1S/C14H17S.CHF3/c1-3-15(4-2)14-11-7-9-12-8-5-6-10-13(12)14;2-1(3)4/h5-11H,3-4H2,1-2H3;1H/q+1;
InChIKeyYVJGLRZVMIUUSC-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.04
Rot. Bonds3

About diethyl(naphthalen-1-yl)sulfanium;fluoroform

diethyl(naphthalen-1-yl)sulfanium;fluoroform (PubChem CID 162621913) has the molecular formula C15H18F3S+ and a molecular weight of 287.37 g/mol. Its IUPAC name is diethyl(naphthalen-1-yl)sulfanium;fluoroform.

Molecular Properties

Compound Namediethyl(naphthalen-1-yl)sulfanium;fluoroform
PubChem CID162621913
Molecular FormulaC15H18F3S+
Molecular Weight287.37 g/mol
Exact Mass287.11
IUPAC Namediethyl(naphthalen-1-yl)sulfanium;fluoroform
SMILESCC[S+](CC)c1cccc2ccccc12.FC(F)F
InChIInChI=1S/C14H17S.CHF3/c1-3-15(4-2)14-11-7-9-12-8-5-6-10-13(12)14;2-1(3)4/h5-11H,3-4H2,1-2H3;1H/q+1;
InChIKeyYVJGLRZVMIUUSC-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diethyl(naphthalen-1-yl)sulfanium;fluoroform 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 diethyl(naphthalen-1-yl)sulfanium;fluoroform?
The IUPAC name of diethyl(naphthalen-1-yl)sulfanium;fluoroform (CID 162621913) is diethyl(naphthalen-1-yl)sulfanium;fluoroform.
What is the SMILES notation for diethyl(naphthalen-1-yl)sulfanium;fluoroform?
The canonical SMILES for diethyl(naphthalen-1-yl)sulfanium;fluoroform is CC[S+](CC)c1cccc2ccccc12.FC(F)F.
What is the InChIKey of diethyl(naphthalen-1-yl)sulfanium;fluoroform?
The InChIKey is YVJGLRZVMIUUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17S.CHF3/c1-3-15(4-2)14-11-7-9-12-8-5-6-10-13(12)14;2-1(3)4/h5-11H,3-4H2,1-2H3;1H/q+1;.
What are the key properties of diethyl(naphthalen-1-yl)sulfanium;fluoroform?
diethyl(naphthalen-1-yl)sulfanium;fluoroform has a molecular weight of 287.37 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(naphthalen-1-yl)sulfanium;fluoroform is sourced from PubChem (CID 162621913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).