N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C9H10F6N2O — CID 113338797

IUPACN-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H10F6N2O/c10-8(11,12)5-16-7(18)17-3-1-6(2-4-17)9(13,14)15/h1H,2-5H2,(H,16,18)
InChIKeyOQMWWJSIPXWEMH-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.45
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 113338797) has the molecular formula C9H10F6N2O and a molecular weight of 276.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID113338797
Molecular FormulaC9H10F6N2O
Molecular Weight276.18 g/mol
Exact Mass276.07
IUPAC NameN-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H10F6N2O/c10-8(11,12)5-16-7(18)17-3-1-6(2-4-17)9(13,14)15/h1H,2-5H2,(H,16,18)
InChIKeyOQMWWJSIPXWEMH-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 115769481

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 113338797) is N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCC(F)(F)F)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OQMWWJSIPXWEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2O/c10-8(11,12)5-16-7(18)17-3-1-6(2-4-17)9(13,14)15/h1H,2-5H2,(H,16,18).
What are the key properties of N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 276.18 g/mol, XLogP of 2.45, 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)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 113338797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).