1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C8H10F6N2O4S — CID 114806140

IUPAC1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H10F6N2O4S/c9-7(10,11)3-15-21(19,20)16-2-1-6(4-16,5(17)18)8(12,13)14/h15H,1-4H2,(H,17,18)
InChIKeySSXCACPHZWAKRD-UHFFFAOYSA-N
MW344.23 g/mol
LogP0.72
Rot. Bonds4

About 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 114806140) has the molecular formula C8H10F6N2O4S and a molecular weight of 344.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID114806140
Molecular FormulaC8H10F6N2O4S
Molecular Weight344.23 g/mol
Exact Mass344.03
IUPAC Name1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H10F6N2O4S/c9-7(10,11)3-15-21(19,20)16-2-1-6(4-16,5(17)18)8(12,13)14/h15H,1-4H2,(H,17,18)
InChIKeySSXCACPHZWAKRD-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 114806140) is 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SSXCACPHZWAKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O4S/c9-7(10,11)3-15-21(19,20)16-2-1-6(4-16,5(17)18)8(12,13)14/h15H,1-4H2,(H,17,18).
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 344.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114806140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).