1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one

C6H6F3NO — CID 130023721

IUPAC1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2CC12C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-1-3(5)2-10-4(5)11/h3H,1-2H2,(H,10,11)
InChIKeyGVHUJKMMODXBQM-UHFFFAOYSA-N
MW165.11 g/mol
LogP0.68
Rot. Bonds

About 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one

1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 130023721) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID130023721
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2CC12C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-1-3(5)2-10-4(5)11/h3H,1-2H2,(H,10,11)
InChIKeyGVHUJKMMODXBQM-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 130023721) is 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one is O=C1NCC2CC12C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is GVHUJKMMODXBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5-1-3(5)2-10-4(5)11/h3H,1-2H2,(H,10,11).
What are the key properties of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one?
1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 165.11 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 130023721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).