3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

C7H12F3NO5S — CID 60950309

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c8-7(9,10)5-11(2-3-12)17(15,16)4-1-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyFZYGSAUUTMXOSU-UHFFFAOYSA-N
MW279.24 g/mol
LogP-0.35
Rot. Bonds7

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 60950309) has the molecular formula C7H12F3NO5S and a molecular weight of 279.24 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID60950309
Molecular FormulaC7H12F3NO5S
Molecular Weight279.24 g/mol
Exact Mass279.04
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c8-7(9,10)5-11(2-3-12)17(15,16)4-1-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyFZYGSAUUTMXOSU-UHFFFAOYSA-N
XLogP-0.35
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 60950309) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is FZYGSAUUTMXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO5S/c8-7(9,10)5-11(2-3-12)17(15,16)4-1-6(13)14/h12H,1-5H2,(H,13,14).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 279.24 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60950309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).