2-[cyclopentyl(difluoro)methyl]peroxypyridine

C11H13F2NO2 — CID 174757229

IUPAC2-[cyclopentyl(difluoro)methyl]peroxypyridine
SMILESFC(F)(OOc1ccccn1)C1CCCC1
InChIInChI=1S/C11H13F2NO2/c12-11(13,9-5-1-2-6-9)16-15-10-7-3-4-8-14-10/h3-4,7-9H,1-2,5-6H2
InChIKeyBYAHIVJHNXWKSD-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.17
Rot. Bonds4

About 2-[cyclopentyl(difluoro)methyl]peroxypyridine

2-[cyclopentyl(difluoro)methyl]peroxypyridine (PubChem CID 174757229) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[cyclopentyl(difluoro)methyl]peroxypyridine.

Molecular Properties

Compound Name2-[cyclopentyl(difluoro)methyl]peroxypyridine
PubChem CID174757229
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-[cyclopentyl(difluoro)methyl]peroxypyridine
SMILESFC(F)(OOc1ccccn1)C1CCCC1
InChIInChI=1S/C11H13F2NO2/c12-11(13,9-5-1-2-6-9)16-15-10-7-3-4-8-14-10/h3-4,7-9H,1-2,5-6H2
InChIKeyBYAHIVJHNXWKSD-UHFFFAOYSA-N
XLogP3.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[cyclopentyl(difluoro)methyl]peroxypyridine?
The IUPAC name of 2-[cyclopentyl(difluoro)methyl]peroxypyridine (CID 174757229) is 2-[cyclopentyl(difluoro)methyl]peroxypyridine.
What is the SMILES notation for 2-[cyclopentyl(difluoro)methyl]peroxypyridine?
The canonical SMILES for 2-[cyclopentyl(difluoro)methyl]peroxypyridine is FC(F)(OOc1ccccn1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(difluoro)methyl]peroxypyridine?
The InChIKey is BYAHIVJHNXWKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-11(13,9-5-1-2-6-9)16-15-10-7-3-4-8-14-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 2-[cyclopentyl(difluoro)methyl]peroxypyridine?
2-[cyclopentyl(difluoro)methyl]peroxypyridine has a molecular weight of 229.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(difluoro)methyl]peroxypyridine is sourced from PubChem (CID 174757229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).