methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate

C8H14F3NO5S — CID 107483828

IUPACmethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO5S/c1-6(7(14)17-2)18(15,16)12(3-4-13)5-8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyIBJXFNHVQSGNQT-UHFFFAOYSA-N
MW293.26 g/mol
LogP-0.27
Rot. Bonds6

About methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate

methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate (PubChem CID 107483828) has the molecular formula C8H14F3NO5S and a molecular weight of 293.26 g/mol. Its IUPAC name is methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
PubChem CID107483828
Molecular FormulaC8H14F3NO5S
Molecular Weight293.26 g/mol
Exact Mass293.05
IUPAC Namemethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO5S/c1-6(7(14)17-2)18(15,16)12(3-4-13)5-8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyIBJXFNHVQSGNQT-UHFFFAOYSA-N
XLogP-0.27
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate (CID 107483828) is methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
The InChIKey is IBJXFNHVQSGNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO5S/c1-6(7(14)17-2)18(15,16)12(3-4-13)5-8(9,10)11/h6,13H,3-5H2,1-2H3.
What are the key properties of methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate has a molecular weight of 293.26 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate is sourced from PubChem (CID 107483828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).