pentafluoro-(4-methylphenyl)-λ6-sulfane

C7H7F5S — CID 50998489

IUPACpentafluoro-(4-methylphenyl)-λ6-sulfane
SMILESCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H7F5S/c1-6-2-4-7(5-3-6)13(8,9,10,11)12/h2-5H,1H3
InChIKeyMFSRNICSILXXMS-UHFFFAOYSA-N
MW218.19 g/mol
LogP4.65
Rot. Bonds1

About pentafluoro-(4-methylphenyl)-λ6-sulfane

pentafluoro-(4-methylphenyl)-λ6-sulfane (PubChem CID 50998489) has the molecular formula C7H7F5S and a molecular weight of 218.19 g/mol. Its IUPAC name is pentafluoro-(4-methylphenyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(4-methylphenyl)-λ6-sulfane
PubChem CID50998489
Molecular FormulaC7H7F5S
Molecular Weight218.19 g/mol
Exact Mass218.02
IUPAC Namepentafluoro-(4-methylphenyl)-λ6-sulfane
SMILESCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H7F5S/c1-6-2-4-7(5-3-6)13(8,9,10,11)12/h2-5H,1H3
InChIKeyMFSRNICSILXXMS-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentafluoro-(4-methylphenyl)-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-(4-methylphenyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(4-methylphenyl)-λ6-sulfane (CID 50998489) is pentafluoro-(4-methylphenyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(4-methylphenyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(4-methylphenyl)-λ6-sulfane is Cc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of pentafluoro-(4-methylphenyl)-λ6-sulfane?
The InChIKey is MFSRNICSILXXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5S/c1-6-2-4-7(5-3-6)13(8,9,10,11)12/h2-5H,1H3.
What are the key properties of pentafluoro-(4-methylphenyl)-λ6-sulfane?
pentafluoro-(4-methylphenyl)-λ6-sulfane has a molecular weight of 218.19 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(4-methylphenyl)-λ6-sulfane is sourced from PubChem (CID 50998489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).