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

C9H14F3NO4S — CID 55011177

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-13(7-3-4-7)18(16,17)5-1-2-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyWQRBGACRFXLYTN-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.21
Rot. Bonds7

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

4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 55011177) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID55011177
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-13(7-3-4-7)18(16,17)5-1-2-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyWQRBGACRFXLYTN-UHFFFAOYSA-N
XLogP1.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.21
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
Methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011178
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
3-[Cyclopropyl(difluoromethylsulfonyl)amino]propanoic acid
CID 60829818
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
3-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950822
3-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951175
4-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952152

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 55011177) is 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is WQRBGACRFXLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)6-13(7-3-4-7)18(16,17)5-1-2-8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 289.28 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 55011177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).