4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C11H20F3NO5S — CID 60951440

IUPAC4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H20F3NO5S/c1-2-20-7-4-6-15(9-11(12,13)14)21(18,19)8-3-5-10(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyPDZDVFILXSKZAX-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.47
Rot. Bonds11

About 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 60951440) has the molecular formula C11H20F3NO5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID60951440
Molecular FormulaC11H20F3NO5S
Molecular Weight335.34 g/mol
Exact Mass335.10
IUPAC Name4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H20F3NO5S/c1-2-20-7-4-6-15(9-11(12,13)14)21(18,19)8-3-5-10(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyPDZDVFILXSKZAX-UHFFFAOYSA-N
XLogP1.47
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
3-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951576
3-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951585
2-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951737
4-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60951738
3-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951739

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 60951440) is 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is CCOCCCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is PDZDVFILXSKZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO5S/c1-2-20-7-4-6-15(9-11(12,13)14)21(18,19)8-3-5-10(16)17/h2-9H2,1H3,(H,16,17).
What are the key properties of 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 335.34 g/mol, XLogP of 1.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60951440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).