fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane

C18F16O3S — CID 134929717

IUPACfluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane
SMILESFc1c(F)c(F)c(OS(F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F16O3S/c19-1-4(22)10(28)16(11(29)5(1)23)35-38(34,36-17-12(30)6(24)2(20)7(25)13(17)31)37-18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyVTRLRKIWKOBIGP-UHFFFAOYSA-N
MW600.23 g/mol
LogP7.74
Rot. Bonds6

About fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane

fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane (PubChem CID 134929717) has the molecular formula C18F16O3S and a molecular weight of 600.23 g/mol. Its IUPAC name is fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane.

Molecular Properties

Compound Namefluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane
PubChem CID134929717
Molecular FormulaC18F16O3S
Molecular Weight600.23 g/mol
Exact Mass599.93
IUPAC Namefluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane
SMILESFc1c(F)c(F)c(OS(F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F16O3S/c19-1-4(22)10(28)16(11(29)5(1)23)35-38(34,36-17-12(30)6(24)2(20)7(25)13(17)31)37-18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyVTRLRKIWKOBIGP-UHFFFAOYSA-N
XLogP7.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.23
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris(pentafluorophenyl)phosphate
CID 12489679
Bis(perfluorophenyl) sulfite
CID 13341016
Tris(pentafluorophenyl)borate
CID 15887311
Al(OC6F5)3
CID 16688057
Bis(2,3,4,5,6-pentafluorophenoxy)-(2,3,4,5,6-pentafluorophenyl)borane
CID 85811035
(2,3,4,5,6-Pentafluorophenoxy)-bis(2,3,4,5,6-pentafluorophenyl)borane
CID 86043659
Tris(2,3,4,5,6-pentafluorophenyl) phosphite
CID 13094913
Tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide
CID 11262888
Methyl-bis(2,3,4,5,6-pentafluorophenoxy)alumane
CID 16688754
Bis(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 18431894
(2,3,4,5,6-Pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 18615330
Tetrakis(2,3,4,5,6-pentafluorophenoxy)stannane
CID 18626831

Frequently Asked Questions

What is the IUPAC name of fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane?
The IUPAC name of fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane (CID 134929717) is fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane.
What is the SMILES notation for fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane?
The canonical SMILES for fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane is Fc1c(F)c(F)c(OS(F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane?
The InChIKey is VTRLRKIWKOBIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F16O3S/c19-1-4(22)10(28)16(11(29)5(1)23)35-38(34,36-17-12(30)6(24)2(20)7(25)13(17)31)37-18-14(32)8(26)3(21)9(27)15(18)33.
What are the key properties of fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane?
fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane has a molecular weight of 600.23 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-λ4-sulfane is sourced from PubChem (CID 134929717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).