1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid

C7H10F3NO4S — CID 43361305

IUPAC1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11-3-1-2-5(4-11)6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyIQUWOGHLUXGPQM-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.63
Rot. Bonds2

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

1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 43361305) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid
PubChem CID43361305
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11-3-1-2-5(4-11)6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyIQUWOGHLUXGPQM-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid (CID 43361305) is 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is IQUWOGHLUXGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11-3-1-2-5(4-11)6(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid has a molecular weight of 261.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43361305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).