1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid

C7H11F2NO4S — CID 43200286

IUPAC1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-2-5(4-10)6(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyYUNDZAWVKIABBW-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.34
Rot. Bonds3

About 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid

1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 43200286) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid
PubChem CID43200286
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-2-5(4-10)6(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyYUNDZAWVKIABBW-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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid (CID 43200286) is 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is YUNDZAWVKIABBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-2-5(4-10)6(11)12/h5,7H,1-4H2,(H,11,12).
What are the key properties of 1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
1-(difluoromethylsulfonyl)piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 43200286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).