2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide

C9H11F7N2O — CID 137463319

IUPAC2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)C1CCNC(F)C1F
InChIInChI=1S/C9H11F7N2O/c10-5-4(1-2-17-6(5)11)7(19)18-3-8(12,13)9(14,15)16/h4-6,17H,1-3H2,(H,18,19)
InChIKeyKSBMNJLZEXBTHP-UHFFFAOYSA-N
MW296.19 g/mol
LogP1.54
Rot. Bonds3

About 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide

2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide (PubChem CID 137463319) has the molecular formula C9H11F7N2O and a molecular weight of 296.19 g/mol. Its IUPAC name is 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide
PubChem CID137463319
Molecular FormulaC9H11F7N2O
Molecular Weight296.19 g/mol
Exact Mass296.08
IUPAC Name2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)C1CCNC(F)C1F
InChIInChI=1S/C9H11F7N2O/c10-5-4(1-2-17-6(5)11)7(19)18-3-8(12,13)9(14,15)16/h4-6,17H,1-3H2,(H,18,19)
InChIKeyKSBMNJLZEXBTHP-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide (CID 137463319) is 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide is O=C(NCC(F)(F)C(F)(F)F)C1CCNC(F)C1F.
What is the InChIKey of 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide?
The InChIKey is KSBMNJLZEXBTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7N2O/c10-5-4(1-2-17-6(5)11)7(19)18-3-8(12,13)9(14,15)16/h4-6,17H,1-3H2,(H,18,19).
What are the key properties of 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide?
2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide has a molecular weight of 296.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2,2,3,3,3-pentafluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 137463319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).