1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane

C4H5F5S — CID 11506555

IUPAC1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane
SMILESCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5S/c1-2-10-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyHKMABQKXCZEJJO-UHFFFAOYSA-N
MW180.14 g/mol
LogP2.89
Rot. Bonds2

About 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane

1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane (PubChem CID 11506555) has the molecular formula C4H5F5S and a molecular weight of 180.14 g/mol. Its IUPAC name is 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane
PubChem CID11506555
Molecular FormulaC4H5F5S
Molecular Weight180.14 g/mol
Exact Mass180.00
IUPAC Name1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane
SMILESCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5S/c1-2-10-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyHKMABQKXCZEJJO-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane (CID 11506555) is 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane is CCSC(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane?
The InChIKey is HKMABQKXCZEJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5S/c1-2-10-4(8,9)3(5,6)7/h2H2,1H3.
What are the key properties of 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane?
1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane has a molecular weight of 180.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 11506555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).