tris(1,1,2,2,2-pentafluoroethyl)sulfanium

C6F15S+ — CID 87727294

IUPACtris(1,1,2,2,2-pentafluoroethyl)sulfanium
SMILESFC(F)(F)C(F)(F)[S+](C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F15S/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15/q+1
InChIKeyFRLNTAZIHHZNDU-UHFFFAOYSA-N
MW389.10 g/mol
LogP5.07
Rot. Bonds3

About tris(1,1,2,2,2-pentafluoroethyl)sulfanium

tris(1,1,2,2,2-pentafluoroethyl)sulfanium (PubChem CID 87727294) has the molecular formula C6F15S+ and a molecular weight of 389.10 g/mol. Its IUPAC name is tris(1,1,2,2,2-pentafluoroethyl)sulfanium.

Molecular Properties

Compound Nametris(1,1,2,2,2-pentafluoroethyl)sulfanium
PubChem CID87727294
Molecular FormulaC6F15S+
Molecular Weight389.10 g/mol
Exact Mass388.95
IUPAC Nametris(1,1,2,2,2-pentafluoroethyl)sulfanium
SMILESFC(F)(F)C(F)(F)[S+](C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F15S/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15/q+1
InChIKeyFRLNTAZIHHZNDU-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.10
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1,1,1,2-tetrafluoropropane;hydrofluoride
CID 160580359
1,1,1-trifluoro-2-methyl-3-oxobutan-2-olate
CID 18720591
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite
CID 71334106
1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane
CID 12642879
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
1,1,1-trifluoroethane trichloride
CID 159910186
2,2-difluoropropane;ethane
CID 144524394

Frequently Asked Questions

What is the IUPAC name of tris(1,1,2,2,2-pentafluoroethyl)sulfanium?
The IUPAC name of tris(1,1,2,2,2-pentafluoroethyl)sulfanium (CID 87727294) is tris(1,1,2,2,2-pentafluoroethyl)sulfanium.
What is the SMILES notation for tris(1,1,2,2,2-pentafluoroethyl)sulfanium?
The canonical SMILES for tris(1,1,2,2,2-pentafluoroethyl)sulfanium is FC(F)(F)C(F)(F)[S+](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)sulfanium?
The InChIKey is FRLNTAZIHHZNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F15S/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15/q+1.
What are the key properties of tris(1,1,2,2,2-pentafluoroethyl)sulfanium?
tris(1,1,2,2,2-pentafluoroethyl)sulfanium has a molecular weight of 389.10 g/mol, XLogP of 5.07, 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)sulfanium is sourced from PubChem (CID 87727294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).