1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid

C9H15F2NO4S — CID 106977471

IUPAC1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C9H15F2NO4S/c1-2-4-9(7(13)14)5-3-6-12(9)17(15,16)8(10)11/h8H,2-6H2,1H3,(H,13,14)
InChIKeyBNPWRBDSRIZIGK-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.26
Rot. Bonds5

About 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977471) has the molecular formula C9H15F2NO4S and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977471
Molecular FormulaC9H15F2NO4S
Molecular Weight271.28 g/mol
Exact Mass271.07
IUPAC Name1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C9H15F2NO4S/c1-2-4-9(7(13)14)5-3-6-12(9)17(15,16)8(10)11/h8H,2-6H2,1H3,(H,13,14)
InChIKeyBNPWRBDSRIZIGK-UHFFFAOYSA-N
XLogP1.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977471) is 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is BNPWRBDSRIZIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S/c1-2-4-9(7(13)14)5-3-6-12(9)17(15,16)8(10)11/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).