2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate

C6H7F5O2S — CID 2330179

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate
SMILESCC(=O)OCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O2S/c1-4(12)13-2-3-14-6(10,11)5(7,8)9/h2-3H2,1H3
InChIKeyGMALOOIDZGEENX-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.44
Rot. Bonds4

About 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate

2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate (PubChem CID 2330179) has the molecular formula C6H7F5O2S and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate
PubChem CID2330179
Molecular FormulaC6H7F5O2S
Molecular Weight238.18 g/mol
Exact Mass238.01
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate
SMILESCC(=O)OCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O2S/c1-4(12)13-2-3-14-6(10,11)5(7,8)9/h2-3H2,1H3
InChIKeyGMALOOIDZGEENX-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate (CID 2330179) is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate is CC(=O)OCCSC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate?
The InChIKey is GMALOOIDZGEENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O2S/c1-4(12)13-2-3-14-6(10,11)5(7,8)9/h2-3H2,1H3.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate?
2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate has a molecular weight of 238.18 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl acetate is sourced from PubChem (CID 2330179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).