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

C9H14F3NO4S — CID 60950823

IUPAC2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H14F3NO4S/c1-6(7-2-3-7)13(5-9(10,11)12)18(16,17)4-8(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyFQULLDBVXLDPIE-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.06
Rot. Bonds6

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

2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (PubChem CID 60950823) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
PubChem CID60950823
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H14F3NO4S/c1-6(7-2-3-7)13(5-9(10,11)12)18(16,17)4-8(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyFQULLDBVXLDPIE-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
3-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950822
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951431
2-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952168
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952306
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61457876
Methyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460259
3-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61605733
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 61606055
2-[1-Cyclopropylethyl(methyl)sulfamoyl]acetic acid
CID 43569098
3-[1-Cyclopropylethyl(methyl)sulfamoyl]propanoic acid
CID 43569103

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (CID 60950823) is 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The InChIKey is FQULLDBVXLDPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c1-6(7-2-3-7)13(5-9(10,11)12)18(16,17)4-8(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid has a molecular weight of 289.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60950823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).