(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid

C6H9F2NO4S — CID 28606646

IUPAC(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C6H9F2NO4S/c7-6(8)14(12,13)9-3-1-2-4(9)5(10)11/h4,6H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyDXQCDBPDHALMEE-SCSAIBSYSA-N
MW229.20 g/mol
LogP0.09
Rot. Bonds3

About (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28606646) has the molecular formula C6H9F2NO4S and a molecular weight of 229.20 g/mol. Its IUPAC name is (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID28606646
Molecular FormulaC6H9F2NO4S
Molecular Weight229.20 g/mol
Exact Mass229.02
IUPAC Name(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C6H9F2NO4S/c7-6(8)14(12,13)9-3-1-2-4(9)5(10)11/h4,6H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyDXQCDBPDHALMEE-SCSAIBSYSA-N
XLogP0.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone
CID 63844311
1-(difluoromethylsulfonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427433
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
CID 66262970
2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane
CID 130734542
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 79673182
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid (CID 28606646) is (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1S(=O)(=O)C(F)F.
What is the InChIKey of (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DXQCDBPDHALMEE-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F2NO4S/c7-6(8)14(12,13)9-3-1-2-4(9)5(10)11/h4,6H,1-3H2,(H,10,11)/t4-/m1/s1.
What are the key properties of (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 229.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28606646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).