1,2-dichloroethyl(pentafluoro)-λ6-sulfane

C2H3Cl2F5S — CID 163836312

IUPAC1,2-dichloroethyl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)C(Cl)CCl
InChIInChI=1S/C2H3Cl2F5S/c3-1-2(4)10(5,6,7,8)9/h2H,1H2
InChIKeyOIAOZVHDZBAWMW-UHFFFAOYSA-N
MW225.01 g/mol
LogP4.09
Rot. Bonds2

About 1,2-dichloroethyl(pentafluoro)-λ6-sulfane

1,2-dichloroethyl(pentafluoro)-λ6-sulfane (PubChem CID 163836312) has the molecular formula C2H3Cl2F5S and a molecular weight of 225.01 g/mol. Its IUPAC name is 1,2-dichloroethyl(pentafluoro)-λ6-sulfane.

Molecular Properties

Compound Name1,2-dichloroethyl(pentafluoro)-λ6-sulfane
PubChem CID163836312
Molecular FormulaC2H3Cl2F5S
Molecular Weight225.01 g/mol
Exact Mass223.93
IUPAC Name1,2-dichloroethyl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)C(Cl)CCl
InChIInChI=1S/C2H3Cl2F5S/c3-1-2(4)10(5,6,7,8)9/h2H,1H2
InChIKeyOIAOZVHDZBAWMW-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.01
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethyl(pentafluoro)-λ6-sulfane?
The IUPAC name of 1,2-dichloroethyl(pentafluoro)-λ6-sulfane (CID 163836312) is 1,2-dichloroethyl(pentafluoro)-λ6-sulfane.
What is the SMILES notation for 1,2-dichloroethyl(pentafluoro)-λ6-sulfane?
The canonical SMILES for 1,2-dichloroethyl(pentafluoro)-λ6-sulfane is FS(F)(F)(F)(F)C(Cl)CCl.
What is the InChIKey of 1,2-dichloroethyl(pentafluoro)-λ6-sulfane?
The InChIKey is OIAOZVHDZBAWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl2F5S/c3-1-2(4)10(5,6,7,8)9/h2H,1H2.
What are the key properties of 1,2-dichloroethyl(pentafluoro)-λ6-sulfane?
1,2-dichloroethyl(pentafluoro)-λ6-sulfane has a molecular weight of 225.01 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethyl(pentafluoro)-λ6-sulfane is sourced from PubChem (CID 163836312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).