4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid

C8H14F3NO5S — CID 63826798

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO5S/c9-8(10,11)6-17-4-3-12-18(15,16)5-1-2-7(13)14/h12H,1-6H2,(H,13,14)
InChIKeyULIGBWWZSZSZRF-UHFFFAOYSA-N
MW293.26 g/mol
LogP0.35
Rot. Bonds9

About 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid

4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid (PubChem CID 63826798) has the molecular formula C8H14F3NO5S and a molecular weight of 293.26 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid
PubChem CID63826798
Molecular FormulaC8H14F3NO5S
Molecular Weight293.26 g/mol
Exact Mass293.05
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO5S/c9-8(10,11)6-17-4-3-12-18(15,16)5-1-2-7(13)14/h12H,1-6H2,(H,13,14)
InChIKeyULIGBWWZSZSZRF-UHFFFAOYSA-N
XLogP0.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Butane-2-sulfonic acid;2-(trifluoromethylsulfonylamino)ethyl 2-methylbutanoate
CID 91533885
2-(2,2,2-Trifluoroethylsulfonylamino)ethyl 2,2-dimethylbutanoate
CID 169896707
4-(2,2,2-Trifluoroethylsulfamoyl)butanoic acid
CID 28774230
Methyl 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoate
CID 55259913
Methyl 4-(3,3,3-trifluoropropylsulfamoyl)butanoate
CID 63226126
4-(3,3,3-Trifluoropropylsulfamoyl)butanoic acid
CID 63226428
2-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]acetic acid
CID 63827503
2-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]propanoic acid
CID 63827853
3-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]propanoic acid
CID 63828921
Methyl 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]butanoate
CID 103081882
Ethyl 3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]propanoate
CID 103833976
Methyl 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]butanoate
CID 103836881

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid (CID 63826798) is 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid?
The InChIKey is ULIGBWWZSZSZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO5S/c9-8(10,11)6-17-4-3-12-18(15,16)5-1-2-7(13)14/h12H,1-6H2,(H,13,14).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid?
4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid has a molecular weight of 293.26 g/mol, XLogP of 0.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 63826798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).