6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid

C9H10F3NO4 — CID 175693704

IUPAC6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1(C)C2C(=O)NC(=O)C21.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9NO2.C2HF3O2/c1-7(2)3-4(7)6(10)8-5(3)9;3-2(4,5)1(6)7/h3-4H,1-2H3,(H,8,9,10);(H,6,7)
InChIKeyONLXLVZFUDVQKI-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.55
Rot. Bonds

About 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid

6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 175693704) has the molecular formula C9H10F3NO4 and a molecular weight of 253.18 g/mol. Its IUPAC name is 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID175693704
Molecular FormulaC9H10F3NO4
Molecular Weight253.18 g/mol
Exact Mass253.06
IUPAC Name6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1(C)C2C(=O)NC(=O)C21.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9NO2.C2HF3O2/c1-7(2)3-4(7)6(10)8-5(3)9;3-2(4,5)1(6)7/h3-4H,1-2H3,(H,8,9,10);(H,6,7)
InChIKeyONLXLVZFUDVQKI-UHFFFAOYSA-N
XLogP0.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid (CID 175693704) is 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid is CC1(C)C2C(=O)NC(=O)C21.O=C(O)C(F)(F)F.
What is the InChIKey of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is ONLXLVZFUDVQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2HF3O2/c1-7(2)3-4(7)6(10)8-5(3)9;3-2(4,5)1(6)7/h3-4H,1-2H3,(H,8,9,10);(H,6,7).
What are the key properties of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid?
6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 253.18 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175693704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).