methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate

C10H15F3O4S — CID 18434558

IUPACmethyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate
SMILESCCCOC(=O)CSCC(C(=O)OC)C(F)(F)F
InChIInChI=1S/C10H15F3O4S/c1-3-4-17-8(14)6-18-5-7(9(15)16-2)10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyUAMZGZWRJOWFKT-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.02
Rot. Bonds7

About methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate

methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate (PubChem CID 18434558) has the molecular formula C10H15F3O4S and a molecular weight of 288.29 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate
PubChem CID18434558
Molecular FormulaC10H15F3O4S
Molecular Weight288.29 g/mol
Exact Mass288.06
IUPAC Namemethyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate
SMILESCCCOC(=O)CSCC(C(=O)OC)C(F)(F)F
InChIInChI=1S/C10H15F3O4S/c1-3-4-17-8(14)6-18-5-7(9(15)16-2)10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyUAMZGZWRJOWFKT-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate 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 methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate?
The IUPAC name of methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate (CID 18434558) is methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate is CCCOC(=O)CSCC(C(=O)OC)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate?
The InChIKey is UAMZGZWRJOWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O4S/c1-3-4-17-8(14)6-18-5-7(9(15)16-2)10(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate?
methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate has a molecular weight of 288.29 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-[(2-oxo-2-propoxyethyl)sulfanylmethyl]propanoate is sourced from PubChem (CID 18434558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).