pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane

C6HF9S — CID 87575118

IUPACpentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane
SMILESFc1cc(F)c(F)c(S(F)(F)(F)(F)F)c1F
InChIInChI=1S/C6HF9S/c7-2-1-3(8)5(10)6(4(2)9)16(11,12,13,14)15/h1H
InChIKeyXIGUSVPRPZCBIZ-UHFFFAOYSA-N
MW276.12 g/mol
LogP4.90
Rot. Bonds1

About pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane

pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane (PubChem CID 87575118) has the molecular formula C6HF9S and a molecular weight of 276.12 g/mol. Its IUPAC name is pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane
PubChem CID87575118
Molecular FormulaC6HF9S
Molecular Weight276.12 g/mol
Exact Mass275.97
IUPAC Namepentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane
SMILESFc1cc(F)c(F)c(S(F)(F)(F)(F)F)c1F
InChIInChI=1S/C6HF9S/c7-2-1-3(8)5(10)6(4(2)9)16(11,12,13,14)15/h1H
InChIKeyXIGUSVPRPZCBIZ-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze pentafluoro-(2,3,5,6-tetrafluorophenyl)-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-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane (CID 87575118) is pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane is Fc1cc(F)c(F)c(S(F)(F)(F)(F)F)c1F.
What is the InChIKey of pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane?
The InChIKey is XIGUSVPRPZCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9S/c7-2-1-3(8)5(10)6(4(2)9)16(11,12,13,14)15/h1H.
What are the key properties of pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane?
pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane has a molecular weight of 276.12 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(2,3,5,6-tetrafluorophenyl)-λ6-sulfane is sourced from PubChem (CID 87575118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).