4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride

C7H11ClF3NO4S — CID 155817900

IUPAC4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)C1CNC(C(=O)O)C1C(F)(F)F.Cl
InChIInChI=1S/C7H10F3NO4S.ClH/c1-16(14,15)3-2-11-5(6(12)13)4(3)7(8,9)10;/h3-5,11H,2H2,1H3,(H,12,13);1H
InChIKeyRHBBCVJWGMBHHN-UHFFFAOYSA-N
MW297.68 g/mol
LogP0.06
Rot. Bonds2

About 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride

4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 155817900) has the molecular formula C7H11ClF3NO4S and a molecular weight of 297.68 g/mol. Its IUPAC name is 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID155817900
Molecular FormulaC7H11ClF3NO4S
Molecular Weight297.68 g/mol
Exact Mass297.00
IUPAC Name4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)C1CNC(C(=O)O)C1C(F)(F)F.Cl
InChIInChI=1S/C7H10F3NO4S.ClH/c1-16(14,15)3-2-11-5(6(12)13)4(3)7(8,9)10;/h3-5,11H,2H2,1H3,(H,12,13);1H
InChIKeyRHBBCVJWGMBHHN-UHFFFAOYSA-N
XLogP0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.68
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 155817900) is 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride is CS(=O)(=O)C1CNC(C(=O)O)C1C(F)(F)F.Cl.
What is the InChIKey of 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is RHBBCVJWGMBHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4S.ClH/c1-16(14,15)3-2-11-5(6(12)13)4(3)7(8,9)10;/h3-5,11H,2H2,1H3,(H,12,13);1H.
What are the key properties of 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 297.68 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 155817900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).