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

C8H14F3NO4S — CID 60952154

IUPAC3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-2-4-12(6-8(9,10)11)17(15,16)5-3-7(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyDAAOLBPOJIDRFY-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.07
Rot. Bonds7

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

3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 60952154) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID60952154
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-2-4-12(6-8(9,10)11)17(15,16)5-3-7(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyDAAOLBPOJIDRFY-UHFFFAOYSA-N
XLogP1.07
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60948432
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258153
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid
CID 60950996
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107483761

Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 60952154) is 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is CCCN(CC(F)(F)F)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is DAAOLBPOJIDRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-2-4-12(6-8(9,10)11)17(15,16)5-3-7(13)14/h2-6H2,1H3,(H,13,14).
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 277.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60952154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).