1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane

C4H4ClF5S — CID 75406352

IUPAC1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane
SMILESFC(F)(F)C(F)(F)SCCCl
InChIInChI=1S/C4H4ClF5S/c5-1-2-11-4(9,10)3(6,7)8/h1-2H2
InChIKeyVFRINVHXQUWQRU-UHFFFAOYSA-N
MW214.59 g/mol
LogP3.11
Rot. Bonds3

About 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane

1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane (PubChem CID 75406352) has the molecular formula C4H4ClF5S and a molecular weight of 214.59 g/mol. Its IUPAC name is 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane
PubChem CID75406352
Molecular FormulaC4H4ClF5S
Molecular Weight214.59 g/mol
Exact Mass213.96
IUPAC Name1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane
SMILESFC(F)(F)C(F)(F)SCCCl
InChIInChI=1S/C4H4ClF5S/c5-1-2-11-4(9,10)3(6,7)8/h1-2H2
InChIKeyVFRINVHXQUWQRU-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.59
LogP ≤ 53.11
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-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane (CID 75406352) is 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane is FC(F)(F)C(F)(F)SCCCl.
What is the InChIKey of 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane?
The InChIKey is VFRINVHXQUWQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF5S/c5-1-2-11-4(9,10)3(6,7)8/h1-2H2.
What are the key properties of 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane?
1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane has a molecular weight of 214.59 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfanyl)-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 75406352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).