pentafluoro(naphthalen-2-yl)-λ6-sulfane

C10H7F5S — CID 21079863

IUPACpentafluoro(naphthalen-2-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C10H7F5S/c11-16(12,13,14,15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyYQFLBQIPZFSQCJ-UHFFFAOYSA-N
MW254.22 g/mol
LogP5.50
Rot. Bonds1

About pentafluoro(naphthalen-2-yl)-λ6-sulfane

pentafluoro(naphthalen-2-yl)-λ6-sulfane (PubChem CID 21079863) has the molecular formula C10H7F5S and a molecular weight of 254.22 g/mol. Its IUPAC name is pentafluoro(naphthalen-2-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(naphthalen-2-yl)-λ6-sulfane
PubChem CID21079863
Molecular FormulaC10H7F5S
Molecular Weight254.22 g/mol
Exact Mass254.02
IUPAC Namepentafluoro(naphthalen-2-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C10H7F5S/c11-16(12,13,14,15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyYQFLBQIPZFSQCJ-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.22
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentafluoro(naphthalen-2-yl)-λ6-sulfane 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 pentafluoro(naphthalen-2-yl)-λ6-sulfane?
The IUPAC name of pentafluoro(naphthalen-2-yl)-λ6-sulfane (CID 21079863) is pentafluoro(naphthalen-2-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(naphthalen-2-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro(naphthalen-2-yl)-λ6-sulfane is FS(F)(F)(F)(F)c1ccc2ccccc2c1.
What is the InChIKey of pentafluoro(naphthalen-2-yl)-λ6-sulfane?
The InChIKey is YQFLBQIPZFSQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5S/c11-16(12,13,14,15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of pentafluoro(naphthalen-2-yl)-λ6-sulfane?
pentafluoro(naphthalen-2-yl)-λ6-sulfane has a molecular weight of 254.22 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(naphthalen-2-yl)-λ6-sulfane is sourced from PubChem (CID 21079863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).