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

C7H8F5NO4S — CID 63708541

IUPAC1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H8F5NO4S/c8-5(9)18(16,17)13-2-1-6(3-13,4(14)15)7(10,11)12/h5H,1-3H2,(H,14,15)
InChIKeyYJXANNUUASVLEJ-UHFFFAOYSA-N
MW297.20 g/mol
LogP0.88
Rot. Bonds3

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

1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708541) has the molecular formula C7H8F5NO4S and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708541
Molecular FormulaC7H8F5NO4S
Molecular Weight297.20 g/mol
Exact Mass297.01
IUPAC Name1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H8F5NO4S/c8-5(9)18(16,17)13-2-1-6(3-13,4(14)15)7(10,11)12/h5H,1-3H2,(H,14,15)
InChIKeyYJXANNUUASVLEJ-UHFFFAOYSA-N
XLogP0.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 21076148
(3R)-1-(difluoromethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 94917755
1-(Dimethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226879
1-Propylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226885
1-(2-Methoxyethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227062
1-Trifluoromethanesulfonylpyrrolidine-3-carboxylic acid
CID 63032536
1-Difluoromethanesulfonylpyrrolidine-3-carboxylic acid
CID 63032872
1-(Difluoromethylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63145711
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63145757
1-(Difluoromethylsulfonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149328
3-Ethyl-1-(trifluoromethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63149535
1-(Difluoromethylsulfonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63149661

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708541) is 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YJXANNUUASVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO4S/c8-5(9)18(16,17)13-2-1-6(3-13,4(14)15)7(10,11)12/h5H,1-3H2,(H,14,15).
What are the key properties of 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 297.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).