bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane

C24H22F6S — CID 139924097

IUPACbis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane
SMILESCCc1ccc(S(F)(c2ccc(CC)cc2)c2cccc(C(F)(F)C(F)(F)F)c2)cc1
InChIInChI=1S/C24H22F6S/c1-3-17-8-12-20(13-9-17)31(30,21-14-10-18(4-2)11-15-21)22-7-5-6-19(16-22)23(25,26)24(27,28)29/h5-16H,3-4H2,1-2H3
InChIKeyFGYBUENOJPAGGI-UHFFFAOYSA-N
MW456.50 g/mol
LogP8.63
Rot. Bonds6

About bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane

bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane (PubChem CID 139924097) has the molecular formula C24H22F6S and a molecular weight of 456.50 g/mol. Its IUPAC name is bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane.

Molecular Properties

Compound Namebis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane
PubChem CID139924097
Molecular FormulaC24H22F6S
Molecular Weight456.50 g/mol
Exact Mass456.13
IUPAC Namebis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane
SMILESCCc1ccc(S(F)(c2ccc(CC)cc2)c2cccc(C(F)(F)C(F)(F)F)c2)cc1
InChIInChI=1S/C24H22F6S/c1-3-17-8-12-20(13-9-17)31(30,21-14-10-18(4-2)11-15-21)22-7-5-6-19(16-22)23(25,26)24(27,28)29/h5-16H,3-4H2,1-2H3
InChIKeyFGYBUENOJPAGGI-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane?
The IUPAC name of bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane (CID 139924097) is bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane.
What is the SMILES notation for bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane?
The canonical SMILES for bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane is CCc1ccc(S(F)(c2ccc(CC)cc2)c2cccc(C(F)(F)C(F)(F)F)c2)cc1.
What is the InChIKey of bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane?
The InChIKey is FGYBUENOJPAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6S/c1-3-17-8-12-20(13-9-17)31(30,21-14-10-18(4-2)11-15-21)22-7-5-6-19(16-22)23(25,26)24(27,28)29/h5-16H,3-4H2,1-2H3.
What are the key properties of bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane?
bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane has a molecular weight of 456.50 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethylphenyl)-fluoro-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-λ4-sulfane is sourced from PubChem (CID 139924097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).