N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

C10H13F3N2O — CID 163284782

IUPACN-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESO=C(NCC(F)(F)F)N1C2C=CCC1CC2
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-14-9(16)15-7-2-1-3-8(15)5-4-7/h1-2,7-8H,3-6H2,(H,14,16)
InChIKeyDQYXJBAARJGBQK-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.05
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (PubChem CID 163284782) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
PubChem CID163284782
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC NameN-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESO=C(NCC(F)(F)F)N1C2C=CCC1CC2
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-14-9(16)15-7-2-1-3-8(15)5-4-7/h1-2,7-8H,3-6H2,(H,14,16)
InChIKeyDQYXJBAARJGBQK-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.05
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)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (CID 163284782) is N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is O=C(NCC(F)(F)F)N1C2C=CCC1CC2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The InChIKey is DQYXJBAARJGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)6-14-9(16)15-7-2-1-3-8(15)5-4-7/h1-2,7-8H,3-6H2,(H,14,16).
What are the key properties of N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 2.05, 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)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is sourced from PubChem (CID 163284782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).