2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C8H9F3N2O2 — CID 21339029

IUPAC2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2N1C(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)7(15)13-4-1-3(4)2-5(13)6(12)14/h3-5H,1-2H2,(H2,12,14)
InChIKeyIONMTHXOQDTHKK-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.02
Rot. Bonds1

About 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 21339029) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID21339029
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2N1C(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)7(15)13-4-1-3(4)2-5(13)6(12)14/h3-5H,1-2H2,(H2,12,14)
InChIKeyIONMTHXOQDTHKK-UHFFFAOYSA-N
XLogP0.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 21339029) is 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2N1C(=O)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is IONMTHXOQDTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)7(15)13-4-1-3(4)2-5(13)6(12)14/h3-5H,1-2H2,(H2,12,14).
What are the key properties of 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroacetyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 21339029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).