fluoromethylsulfonyl piperidine-1-carboperoxoate

C7H12FNO5S — CID 140814449

IUPACfluoromethylsulfonyl piperidine-1-carboperoxoate
SMILESO=C(OOS(=O)(=O)CF)N1CCCCC1
InChIInChI=1S/C7H12FNO5S/c8-6-15(11,12)14-13-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKeyIWRKQXCIDBOHBM-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.80
Rot. Bonds3

About fluoromethylsulfonyl piperidine-1-carboperoxoate

fluoromethylsulfonyl piperidine-1-carboperoxoate (PubChem CID 140814449) has the molecular formula C7H12FNO5S and a molecular weight of 241.24 g/mol. Its IUPAC name is fluoromethylsulfonyl piperidine-1-carboperoxoate.

Molecular Properties

Compound Namefluoromethylsulfonyl piperidine-1-carboperoxoate
PubChem CID140814449
Molecular FormulaC7H12FNO5S
Molecular Weight241.24 g/mol
Exact Mass241.04
IUPAC Namefluoromethylsulfonyl piperidine-1-carboperoxoate
SMILESO=C(OOS(=O)(=O)CF)N1CCCCC1
InChIInChI=1S/C7H12FNO5S/c8-6-15(11,12)14-13-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKeyIWRKQXCIDBOHBM-UHFFFAOYSA-N
XLogP0.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethylsulfonyl piperidine-1-carboperoxoate?
The IUPAC name of fluoromethylsulfonyl piperidine-1-carboperoxoate (CID 140814449) is fluoromethylsulfonyl piperidine-1-carboperoxoate.
What is the SMILES notation for fluoromethylsulfonyl piperidine-1-carboperoxoate?
The canonical SMILES for fluoromethylsulfonyl piperidine-1-carboperoxoate is O=C(OOS(=O)(=O)CF)N1CCCCC1.
What is the InChIKey of fluoromethylsulfonyl piperidine-1-carboperoxoate?
The InChIKey is IWRKQXCIDBOHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO5S/c8-6-15(11,12)14-13-7(10)9-4-2-1-3-5-9/h1-6H2.
What are the key properties of fluoromethylsulfonyl piperidine-1-carboperoxoate?
fluoromethylsulfonyl piperidine-1-carboperoxoate has a molecular weight of 241.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethylsulfonyl piperidine-1-carboperoxoate is sourced from PubChem (CID 140814449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).