4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C7H12F3NO4S — CID 60891738

IUPAC4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-11(5-7(8,9)10)16(14,15)4-2-3-6(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyGVDUSQVEAAKJNY-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.68
Rot. Bonds6

About 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 60891738) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID60891738
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-11(5-7(8,9)10)16(14,15)4-2-3-6(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyGVDUSQVEAAKJNY-UHFFFAOYSA-N
XLogP0.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-Trifluoroethylsulfamoyl)butanoic acid
CID 28774230
4-[Difluoromethylsulfonyl(methyl)amino]butanoic acid
CID 43151883
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
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876756
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
Methyl 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 54952486
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60891177
3-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60891739

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 60891738) is 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is CN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is GVDUSQVEAAKJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-11(5-7(8,9)10)16(14,15)4-2-3-6(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 263.24 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60891738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).