1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane

C4H4Cl3F5S2 — CID 157128409

IUPAC1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane
SMILESFC(F)(F)C(F)(F)SCC(Cl)(Cl)Cl.S
InChIInChI=1S/C4H2Cl3F5S.H2S/c5-2(6,7)1-13-4(11,12)3(8,9)10;/h1H2;1H2
InChIKeySBDZYJVJTVHBFV-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.36
Rot. Bonds2

About 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane

1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane (PubChem CID 157128409) has the molecular formula C4H4Cl3F5S2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane
PubChem CID157128409
Molecular FormulaC4H4Cl3F5S2
Molecular Weight317.56 g/mol
Exact Mass315.87
IUPAC Name1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane
SMILESFC(F)(F)C(F)(F)SCC(Cl)(Cl)Cl.S
InChIInChI=1S/C4H2Cl3F5S.H2S/c5-2(6,7)1-13-4(11,12)3(8,9)10;/h1H2;1H2
InChIKeySBDZYJVJTVHBFV-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane (CID 157128409) is 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane is FC(F)(F)C(F)(F)SCC(Cl)(Cl)Cl.S.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane?
The InChIKey is SBDZYJVJTVHBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3F5S.H2S/c5-2(6,7)1-13-4(11,12)3(8,9)10;/h1H2;1H2.
What are the key properties of 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane?
1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane has a molecular weight of 317.56 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane is sourced from PubChem (CID 157128409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).