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

C8H11F5N2O — CID 137463329

IUPAC2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCNC(F)C1F
InChIInChI=1S/C8H11F5N2O/c9-5-4(1-2-14-6(5)10)7(16)15-3-8(11,12)13/h4-6,14H,1-3H2,(H,15,16)
InChIKeyFKJJTEGZCGFEHF-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.91
Rot. Bonds2

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

2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 137463329) has the molecular formula C8H11F5N2O and a molecular weight of 246.18 g/mol. Its IUPAC name is 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID137463329
Molecular FormulaC8H11F5N2O
Molecular Weight246.18 g/mol
Exact Mass246.08
IUPAC Name2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCNC(F)C1F
InChIInChI=1S/C8H11F5N2O/c9-5-4(1-2-14-6(5)10)7(16)15-3-8(11,12)13/h4-6,14H,1-3H2,(H,15,16)
InChIKeyFKJJTEGZCGFEHF-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 137463329) is 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCNC(F)C1F.
What is the InChIKey of 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is FKJJTEGZCGFEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2O/c9-5-4(1-2-14-6(5)10)7(16)15-3-8(11,12)13/h4-6,14H,1-3H2,(H,15,16).
What are the key properties of 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 246.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 137463329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).