1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C9H12F3NO4S — CID 64554294

IUPAC1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H12F3NO4S/c10-9(11,12)8(7(14)15)3-4-13(5-8)18(16,17)6-1-2-6/h6H,1-5H2,(H,14,15)
InChIKeyGTCFEJXOFHDIEY-UHFFFAOYSA-N
MW287.26 g/mol
LogP0.82
Rot. Bonds3

About 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 64554294) has the molecular formula C9H12F3NO4S and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID64554294
Molecular FormulaC9H12F3NO4S
Molecular Weight287.26 g/mol
Exact Mass287.04
IUPAC Name1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H12F3NO4S/c10-9(11,12)8(7(14)15)3-4-13(5-8)18(16,17)6-1-2-6/h6H,1-5H2,(H,14,15)
InChIKeyGTCFEJXOFHDIEY-UHFFFAOYSA-N
XLogP0.82
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 64554294) is 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GTCFEJXOFHDIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4S/c10-9(11,12)8(7(14)15)3-4-13(5-8)18(16,17)6-1-2-6/h6H,1-5H2,(H,14,15).
What are the key properties of 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 287.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64554294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).