tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane

C7F18S — CID 162621792

IUPACtris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane
SMILESFC(F)(F)C(F)(F)S(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F18S/c8-1(9,10)4(17,18)26(7(23,24)25,5(19,20)2(11,12)13)6(21,22)3(14,15)16
InChIKeyIEDFOHOKUYRPKM-UHFFFAOYSA-N
MW458.11 g/mol
LogP6.78
Rot. Bonds3

About tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane

tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane (PubChem CID 162621792) has the molecular formula C7F18S and a molecular weight of 458.11 g/mol. Its IUPAC name is tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane.

Molecular Properties

Compound Nametris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane
PubChem CID162621792
Molecular FormulaC7F18S
Molecular Weight458.11 g/mol
Exact Mass457.94
IUPAC Nametris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane
SMILESFC(F)(F)C(F)(F)S(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F18S/c8-1(9,10)4(17,18)26(7(23,24)25,5(19,20)2(11,12)13)6(21,22)3(14,15)16
InChIKeyIEDFOHOKUYRPKM-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.11
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane?
The IUPAC name of tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane (CID 162621792) is tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane.
What is the SMILES notation for tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane?
The canonical SMILES for tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane is FC(F)(F)C(F)(F)S(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane?
The InChIKey is IEDFOHOKUYRPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F18S/c8-1(9,10)4(17,18)26(7(23,24)25,5(19,20)2(11,12)13)6(21,22)3(14,15)16.
What are the key properties of tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane?
tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane has a molecular weight of 458.11 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane is sourced from PubChem (CID 162621792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).