3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide

C5F10O3S — CID 23194485

IUPAC3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O3S/c6-1(7,2(8,9)4(11,12)13)3(10)5(14,15)18-19(3,16)17
InChIKeyZIIYMRHOENVDHP-UHFFFAOYSA-N
MW330.10 g/mol
LogP2.44
Rot. Bonds2

About 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide

3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide (PubChem CID 23194485) has the molecular formula C5F10O3S and a molecular weight of 330.10 g/mol. Its IUPAC name is 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide.

Molecular Properties

Compound Name3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide
PubChem CID23194485
Molecular FormulaC5F10O3S
Molecular Weight330.10 g/mol
Exact Mass329.94
IUPAC Name3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O3S/c6-1(7,2(8,9)4(11,12)13)3(10)5(14,15)18-19(3,16)17
InChIKeyZIIYMRHOENVDHP-UHFFFAOYSA-N
XLogP2.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide?
The IUPAC name of 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide (CID 23194485) is 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide.
What is the SMILES notation for 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide?
The canonical SMILES for 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide is O=S1(=O)OC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide?
The InChIKey is ZIIYMRHOENVDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O3S/c6-1(7,2(8,9)4(11,12)13)3(10)5(14,15)18-19(3,16)17.
What are the key properties of 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide?
3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide has a molecular weight of 330.10 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide is sourced from PubChem (CID 23194485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).