2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide

C13H15F9N2O2 — CID 3109827

IUPAC2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCCC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H15F9N2O2/c14-9(15,8(25)23-4-7-24-5-2-1-3-6-24)12(20)10(16,17)11(18,19)13(21,22)26-12/h1-7H2,(H,23,25)
InChIKeyBUKMZQLQSVGBFQ-UHFFFAOYSA-N
MW402.26 g/mol
LogP2.78
Rot. Bonds5

About 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide

2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 3109827) has the molecular formula C13H15F9N2O2 and a molecular weight of 402.26 g/mol. Its IUPAC name is 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID3109827
Molecular FormulaC13H15F9N2O2
Molecular Weight402.26 g/mol
Exact Mass402.10
IUPAC Name2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCCC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H15F9N2O2/c14-9(15,8(25)23-4-7-24-5-2-1-3-6-24)12(20)10(16,17)11(18,19)13(21,22)26-12/h1-7H2,(H,23,25)
InChIKeyBUKMZQLQSVGBFQ-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide (CID 3109827) is 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide is O=C(NCCN1CCCCC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is BUKMZQLQSVGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F9N2O2/c14-9(15,8(25)23-4-7-24-5-2-1-3-6-24)12(20)10(16,17)11(18,19)13(21,22)26-12/h1-7H2,(H,23,25).
What are the key properties of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 402.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 3109827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).