ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate

C9H16F3NO5S — CID 107483738

IUPACethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO5S/c1-2-18-8(15)3-6-19(16,17)13(4-5-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyIJSNDUDLJAYIDI-UHFFFAOYSA-N
MW307.29 g/mol
LogP0.13
Rot. Bonds8

About ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate

ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate (PubChem CID 107483738) has the molecular formula C9H16F3NO5S and a molecular weight of 307.29 g/mol. Its IUPAC name is ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
PubChem CID107483738
Molecular FormulaC9H16F3NO5S
Molecular Weight307.29 g/mol
Exact Mass307.07
IUPAC Nameethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO5S/c1-2-18-8(15)3-6-19(16,17)13(4-5-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyIJSNDUDLJAYIDI-UHFFFAOYSA-N
XLogP0.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate (CID 107483738) is ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
The InChIKey is IJSNDUDLJAYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO5S/c1-2-18-8(15)3-6-19(16,17)13(4-5-14)7-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate?
ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate has a molecular weight of 307.29 g/mol, XLogP of 0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate is sourced from PubChem (CID 107483738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).