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

C5F10O4S — CID 134881959

IUPAC3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O4S/c6-1(7,2(8,9)10)3(11,12)18-5(15)4(13,14)19-20(5,16)17
InChIKeyAAGDIOAPZDOVAZ-UHFFFAOYSA-N
MW346.10 g/mol
LogP2.37
Rot. Bonds3

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

3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide (PubChem CID 134881959) has the molecular formula C5F10O4S and a molecular weight of 346.10 g/mol. Its IUPAC name is 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide.

Molecular Properties

Compound Name3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide
PubChem CID134881959
Molecular FormulaC5F10O4S
Molecular Weight346.10 g/mol
Exact Mass345.94
IUPAC Name3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O4S/c6-1(7,2(8,9)10)3(11,12)18-5(15)4(13,14)19-20(5,16)17
InChIKeyAAGDIOAPZDOVAZ-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide?
The IUPAC name of 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide (CID 134881959) is 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide.
What is the SMILES notation for 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide?
The canonical SMILES for 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide is O=S1(=O)OC(F)(F)C1(F)OC(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-heptafluoropropoxy)oxathietane 2,2-dioxide?
The InChIKey is AAGDIOAPZDOVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O4S/c6-1(7,2(8,9)10)3(11,12)18-5(15)4(13,14)19-20(5,16)17.
What are the key properties of 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide?
3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide has a molecular weight of 346.10 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide is sourced from PubChem (CID 134881959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).