3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C10H14F2N2O2 — CID 114384527

IUPAC3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC(F)(F)CN)C(=O)C21
InChIInChI=1S/C10H14F2N2O2/c1-9(2)5-6(9)8(16)14(7(5)15)4-10(11,12)3-13/h5-6H,3-4,13H2,1-2H3
InChIKeySJMMSDZBMXBTQC-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.22
Rot. Bonds3

About 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 114384527) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID114384527
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC(F)(F)CN)C(=O)C21
InChIInChI=1S/C10H14F2N2O2/c1-9(2)5-6(9)8(16)14(7(5)15)4-10(11,12)3-13/h5-6H,3-4,13H2,1-2H3
InChIKeySJMMSDZBMXBTQC-UHFFFAOYSA-N
XLogP0.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione 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 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 114384527) is 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(CC(F)(F)CN)C(=O)C21.
What is the InChIKey of 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is SJMMSDZBMXBTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-9(2)5-6(9)8(16)14(7(5)15)4-10(11,12)3-13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 232.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 114384527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).