4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide

C5H7F3O5S — CID 139296601

IUPAC4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(COCC(F)(F)F)O1
InChIInChI=1S/C5H7F3O5S/c6-5(7,8)3-11-1-4-2-12-14(9,10)13-4/h4H,1-3H2
InChIKeyDYSZXGSYQGPWSX-UHFFFAOYSA-N
MW236.17 g/mol
LogP0.23
Rot. Bonds3

About 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide

4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 139296601) has the molecular formula C5H7F3O5S and a molecular weight of 236.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID139296601
Molecular FormulaC5H7F3O5S
Molecular Weight236.17 g/mol
Exact Mass236.00
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(COCC(F)(F)F)O1
InChIInChI=1S/C5H7F3O5S/c6-5(7,8)3-11-1-4-2-12-14(9,10)13-4/h4H,1-3H2
InChIKeyDYSZXGSYQGPWSX-UHFFFAOYSA-N
XLogP0.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide (CID 139296601) is 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide is O=S1(=O)OCC(COCC(F)(F)F)O1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is DYSZXGSYQGPWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O5S/c6-5(7,8)3-11-1-4-2-12-14(9,10)13-4/h4H,1-3H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 236.17 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 139296601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).