pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane

C6F14S2 — CID 53395388

IUPACpentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane
SMILESFc1c(F)c(S(F)(F)(F)(F)F)c(F)c(F)c1S(F)(F)(F)(F)F
InChIInChI=1S/C6F14S2/c7-1-2(8)6(22(16,17,18,19)20)4(10)3(9)5(1)21(11,12,13,14)15
InChIKeyZGJYJNYANHLEHS-UHFFFAOYSA-N
MW402.17 g/mol
LogP7.56
Rot. Bonds2

About pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane

pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane (PubChem CID 53395388) has the molecular formula C6F14S2 and a molecular weight of 402.17 g/mol. Its IUPAC name is pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane
PubChem CID53395388
Molecular FormulaC6F14S2
Molecular Weight402.17 g/mol
Exact Mass401.92
IUPAC Namepentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane
SMILESFc1c(F)c(S(F)(F)(F)(F)F)c(F)c(F)c1S(F)(F)(F)(F)F
InChIInChI=1S/C6F14S2/c7-1-2(8)6(22(16,17,18,19)20)4(10)3(9)5(1)21(11,12,13,14)15
InChIKeyZGJYJNYANHLEHS-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.17
LogP ≤ 57.56
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-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-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-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane (CID 53395388) is pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane is Fc1c(F)c(S(F)(F)(F)(F)F)c(F)c(F)c1S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane?
The InChIKey is ZGJYJNYANHLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14S2/c7-1-2(8)6(22(16,17,18,19)20)4(10)3(9)5(1)21(11,12,13,14)15.
What are the key properties of pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane?
pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane has a molecular weight of 402.17 g/mol, XLogP of 7.56, 2 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-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-λ6-sulfane is sourced from PubChem (CID 53395388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).