1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid

C7H11F2NO4S — CID 28606741

IUPAC1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-5(2-4-10)6(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyQZJHNRACVUISCR-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.34
Rot. Bonds3

About 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid

1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid (PubChem CID 28606741) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid
PubChem CID28606741
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-5(2-4-10)6(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyQZJHNRACVUISCR-UHFFFAOYSA-N
XLogP0.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-4-carboxylic acid
CID 60859394
1-Trifluoromethanesulfonylpiperidine-4-carboxylic acid
CID 21747792
Sodium 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527730
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731
1-(1,1,2,2,3,3-Hexafluoro-3-sulfopropyl)sulfonylpiperidine-4-carboxylic acid
CID 88875288
1-[Difluoro(trifluoromethylsulfonylsulfamoyl)methyl]sulfonylpiperidine-4-carboxylic acid
CID 90329061
3-(4-Carboxypiperidin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 141650531
Ethyl 1-(difluoromethylsulfonyl)piperidine-4-carboxylate
CID 43608126
Methyl 1-(difluoromethylsulfonyl)piperidine-4-carboxylate
CID 43608128

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid (CID 28606741) is 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid?
The InChIKey is QZJHNRACVUISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-5(2-4-10)6(11)12/h5,7H,1-4H2,(H,11,12).
What are the key properties of 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid?
1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28606741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).