1,1,2,2,2-pentafluoroethylsulfanium

C2H2F5S+ — CID 154019312

IUPAC1,1,2,2,2-pentafluoroethylsulfanium
SMILESFC(F)(F)C(F)(F)[SH2+]
InChIInChI=1S/C2HF5S/c3-1(4,5)2(6,7)8/h8H/p+1
InChIKeyHJAQXTYQEZKSPA-UHFFFAOYSA-O
MW153.09 g/mol
LogP1.15
Rot. Bonds

About 1,1,2,2,2-pentafluoroethylsulfanium

1,1,2,2,2-pentafluoroethylsulfanium (PubChem CID 154019312) has the molecular formula C2H2F5S+ and a molecular weight of 153.09 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethylsulfanium.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethylsulfanium
PubChem CID154019312
Molecular FormulaC2H2F5S+
Molecular Weight153.09 g/mol
Exact Mass152.98
IUPAC Name1,1,2,2,2-pentafluoroethylsulfanium
SMILESFC(F)(F)C(F)(F)[SH2+]
InChIInChI=1S/C2HF5S/c3-1(4,5)2(6,7)8/h8H/p+1
InChIKeyHJAQXTYQEZKSPA-UHFFFAOYSA-O
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.09
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethylsulfanium?
The IUPAC name of 1,1,2,2,2-pentafluoroethylsulfanium (CID 154019312) is 1,1,2,2,2-pentafluoroethylsulfanium.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethylsulfanium?
The canonical SMILES for 1,1,2,2,2-pentafluoroethylsulfanium is FC(F)(F)C(F)(F)[SH2+].
What is the InChIKey of 1,1,2,2,2-pentafluoroethylsulfanium?
The InChIKey is HJAQXTYQEZKSPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C2HF5S/c3-1(4,5)2(6,7)8/h8H/p+1.
What are the key properties of 1,1,2,2,2-pentafluoroethylsulfanium?
1,1,2,2,2-pentafluoroethylsulfanium has a molecular weight of 153.09 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethylsulfanium is sourced from PubChem (CID 154019312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).