4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C11H18F3NO4S — CID 60950661

IUPAC4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H18F3NO4S/c1-8(9-4-5-9)15(7-11(12,13)14)20(18,19)6-2-3-10(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyFQITXLMPGHJGQY-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.84
Rot. Bonds8

About 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 60950661) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID60950661
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Name4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H18F3NO4S/c1-8(9-4-5-9)15(7-11(12,13)14)20(18,19)6-2-3-10(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyFQITXLMPGHJGQY-UHFFFAOYSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 60950661) is 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is FQITXLMPGHJGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4S/c1-8(9-4-5-9)15(7-11(12,13)14)20(18,19)6-2-3-10(16)17/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 317.33 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60950661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).