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

C7H12F3NO5S — CID 54947606

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c1-5(6(13)14)17(15,16)11(2-3-12)4-7(8,9)10/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyWTUAMHLCVAKWSX-UHFFFAOYSA-N
MW279.24 g/mol
LogP-0.35
Rot. Bonds6

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

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 54947606) has the molecular formula C7H12F3NO5S and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID54947606
Molecular FormulaC7H12F3NO5S
Molecular Weight279.24 g/mol
Exact Mass279.04
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c1-5(6(13)14)17(15,16)11(2-3-12)4-7(8,9)10/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyWTUAMHLCVAKWSX-UHFFFAOYSA-N
XLogP-0.35
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876756
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
3-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60891739
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950149
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950309
3-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951175
3-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61455049
2-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61457800
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61458199
Methyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460226
2-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61606015

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 54947606) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is WTUAMHLCVAKWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO5S/c1-5(6(13)14)17(15,16)11(2-3-12)4-7(8,9)10/h5,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 279.24 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).