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

C7H10F4O2S — CID 88559369

IUPAC2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CC(F)(F)C(F)F
InChIInChI=1S/C7H10F4O2S/c8-6(9)7(10,11)4-5-2-1-3-14(5,12)13/h5-6H,1-4H2
InChIKeyQTTUUIYEACANPW-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.85
Rot. Bonds3

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

2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide (PubChem CID 88559369) has the molecular formula C7H10F4O2S and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide
PubChem CID88559369
Molecular FormulaC7H10F4O2S
Molecular Weight234.21 g/mol
Exact Mass234.03
IUPAC Name2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CC(F)(F)C(F)F
InChIInChI=1S/C7H10F4O2S/c8-6(9)7(10,11)4-5-2-1-3-14(5,12)13/h5-6H,1-4H2
InChIKeyQTTUUIYEACANPW-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.85
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-tetrafluoropropyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide (CID 88559369) is 2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide is O=S1(=O)CCCC1CC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide?
The InChIKey is QTTUUIYEACANPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O2S/c8-6(9)7(10,11)4-5-2-1-3-14(5,12)13/h5-6H,1-4H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide?
2-(2,2,3,3-tetrafluoropropyl)thiolane 1,1-dioxide has a molecular weight of 234.21 g/mol, XLogP of 1.85, 3 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-tetrafluoropropyl)thiolane 1,1-dioxide is sourced from PubChem (CID 88559369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).