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

C8H14F3NO4S — CID 61458199

IUPAC2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-3-4-12(5-8(9,10)11)17(15,16)6(2)7(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyJQSCSFYDYYOHTE-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.06
Rot. Bonds6

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

2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 61458199) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID61458199
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-3-4-12(5-8(9,10)11)17(15,16)6(2)7(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyJQSCSFYDYYOHTE-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6:2 FTSAm-N-Me-N-PrA
CID 176514731
3-[Methyl(1,1,2,2,3-pentafluoropropylsulfonyl)amino]propanoic acid
CID 130374950
4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
2-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 54876265
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947606
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 61458199) is 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is CCCN(CC(F)(F)F)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is JQSCSFYDYYOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-3-4-12(5-8(9,10)11)17(15,16)6(2)7(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 277.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61458199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).