ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate

C7H11F3O3S — CID 123331970

IUPACethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate
SMILESCCOC(=O)CS(=O)CCC(F)(F)F
InChIInChI=1S/C7H11F3O3S/c1-2-13-6(11)5-14(12)4-3-7(8,9)10/h2-5H2,1H3
InChIKeyDTAIXDZYRHZRQZ-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.25
Rot. Bonds5

About ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate

ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate (PubChem CID 123331970) has the molecular formula C7H11F3O3S and a molecular weight of 232.22 g/mol. Its IUPAC name is ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate
PubChem CID123331970
Molecular FormulaC7H11F3O3S
Molecular Weight232.22 g/mol
Exact Mass232.04
IUPAC Nameethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate
SMILESCCOC(=O)CS(=O)CCC(F)(F)F
InChIInChI=1S/C7H11F3O3S/c1-2-13-6(11)5-14(12)4-3-7(8,9)10/h2-5H2,1H3
InChIKeyDTAIXDZYRHZRQZ-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate?
The IUPAC name of ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate (CID 123331970) is ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate.
What is the SMILES notation for ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate?
The canonical SMILES for ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate is CCOC(=O)CS(=O)CCC(F)(F)F.
What is the InChIKey of ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate?
The InChIKey is DTAIXDZYRHZRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3S/c1-2-13-6(11)5-14(12)4-3-7(8,9)10/h2-5H2,1H3.
What are the key properties of ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate?
ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate has a molecular weight of 232.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3,3-trifluoropropylsulfinyl)acetate is sourced from PubChem (CID 123331970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).