2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide

C7H9F5O2S — CID 59228907

IUPAC2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O2S/c8-6(9,7(10,11)12)4-5-2-1-3-15(5,13)14/h5H,1-4H2
InChIKeyMGDJEAPKHOPOBD-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.15
Rot. Bonds2

About 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide

2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide (PubChem CID 59228907) has the molecular formula C7H9F5O2S and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide
PubChem CID59228907
Molecular FormulaC7H9F5O2S
Molecular Weight252.20 g/mol
Exact Mass252.02
IUPAC Name2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O2S/c8-6(9,7(10,11)12)4-5-2-1-3-15(5,13)14/h5H,1-4H2
InChIKeyMGDJEAPKHOPOBD-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide (CID 59228907) is 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide is O=S1(=O)CCCC1CC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide?
The InChIKey is MGDJEAPKHOPOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O2S/c8-6(9,7(10,11)12)4-5-2-1-3-15(5,13)14/h5H,1-4H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide?
2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide has a molecular weight of 252.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropyl)thiolane 1,1-dioxide is sourced from PubChem (CID 59228907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).