N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C8H11F3N2O — CID 115969583

IUPACN-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC=CCC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)6-12-7(14)13-4-2-1-3-5-13/h1-2H,3-6H2,(H,12,14)
InChIKeyHZZINHGBCLEVBD-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.52
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115969583) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115969583
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC=CCC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)6-12-7(14)13-4-2-1-3-5-13/h1-2H,3-6H2,(H,12,14)
InChIKeyHZZINHGBCLEVBD-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115969583) is N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCC(F)(F)F)N1CC=CCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HZZINHGBCLEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)6-12-7(14)13-4-2-1-3-5-13/h1-2H,3-6H2,(H,12,14).
What are the key properties of N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 208.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115969583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).