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

C4H5F3O5S2 — CID 89314078

IUPAC4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S(CC1COS(=O)(=O)O1)C(F)(F)F
InChIInChI=1S/C4H5F3O5S2/c5-4(6,7)13(8)2-3-1-11-14(9,10)12-3/h3H,1-2H2
InChIKeyFPPYFGCGURWFTO-UHFFFAOYSA-N
MW254.21 g/mol
LogP-0.08
Rot. Bonds2

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

4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 89314078) has the molecular formula C4H5F3O5S2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID89314078
Molecular FormulaC4H5F3O5S2
Molecular Weight254.21 g/mol
Exact Mass253.95
IUPAC Name4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S(CC1COS(=O)(=O)O1)C(F)(F)F
InChIInChI=1S/C4H5F3O5S2/c5-4(6,7)13(8)2-3-1-11-14(9,10)12-3/h3H,1-2H2
InChIKeyFPPYFGCGURWFTO-UHFFFAOYSA-N
XLogP-0.08
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide (CID 89314078) is 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide is O=S(CC1COS(=O)(=O)O1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is FPPYFGCGURWFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O5S2/c5-4(6,7)13(8)2-3-1-11-14(9,10)12-3/h3H,1-2H2.
What are the key properties of 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 254.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 89314078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).