2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

C8H14F3NO4S — CID 61457800

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-5(2)12(4-8(9,10)11)17(15,16)6(3)7(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyOGMPAKSRQDYKEK-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.06
Rot. Bonds5

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

2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 61457800) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID61457800
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-5(2)12(4-8(9,10)11)17(15,16)6(3)7(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyOGMPAKSRQDYKEK-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
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
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
3-[Difluoromethylsulfonyl(propan-2-yl)amino]propanoic acid
CID 60829657
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60891177

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 61457800) is 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is CC(C)N(CC(F)(F)F)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is OGMPAKSRQDYKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-5(2)12(4-8(9,10)11)17(15,16)6(3)7(13)14/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 277.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61457800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).