trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane

C6F8S — CID 23237641

IUPACtrifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane
SMILESFc1c(F)c(F)c(S(F)(F)F)c(F)c1F
InChIInChI=1S/C6F8S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9
InChIKeyMOJYKDWNLIRWLS-UHFFFAOYSA-N
MW256.12 g/mol
LogP4.20
Rot. Bonds1

About trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane

trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane (PubChem CID 23237641) has the molecular formula C6F8S and a molecular weight of 256.12 g/mol. Its IUPAC name is trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane
PubChem CID23237641
Molecular FormulaC6F8S
Molecular Weight256.12 g/mol
Exact Mass255.96
IUPAC Nametrifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane
SMILESFc1c(F)c(F)c(S(F)(F)F)c(F)c1F
InChIInChI=1S/C6F8S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9
InChIKeyMOJYKDWNLIRWLS-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane?
The IUPAC name of trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane (CID 23237641) is trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane.
What is the SMILES notation for trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane?
The canonical SMILES for trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane is Fc1c(F)c(F)c(S(F)(F)F)c(F)c1F.
What is the InChIKey of trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane?
The InChIKey is MOJYKDWNLIRWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9.
What are the key properties of trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane?
trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane has a molecular weight of 256.12 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2,3,4,5,6-pentafluorophenyl)-λ4-sulfane is sourced from PubChem (CID 23237641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).