4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C8H14F3NO5S — CID 54876756

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO5S/c9-8(10,11)6-12(3-4-13)18(16,17)5-1-2-7(14)15/h13H,1-6H2,(H,14,15)
InChIKeyWGFPRAAWKTYPNQ-UHFFFAOYSA-N
MW293.26 g/mol
LogP0.04
Rot. Bonds8

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 54876756) has the molecular formula C8H14F3NO5S and a molecular weight of 293.26 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID54876756
Molecular FormulaC8H14F3NO5S
Molecular Weight293.26 g/mol
Exact Mass293.05
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO5S/c9-8(10,11)6-12(3-4-13)18(16,17)5-1-2-7(14)15/h13H,1-6H2,(H,14,15)
InChIKeyWGFPRAAWKTYPNQ-UHFFFAOYSA-N
XLogP0.04
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 54876756) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is WGFPRAAWKTYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO5S/c9-8(10,11)6-12(3-4-13)18(16,17)5-1-2-7(14)15/h13H,1-6H2,(H,14,15).
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 293.26 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 54876756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).