3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid

C9H8F2N2O4 — CID 20704006

IUPAC3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
SMILESO=C1NC(=O)C2(N1)C1C(CC2(F)F)C1C(=O)O
InChIInChI=1S/C9H8F2N2O4/c10-8(11)1-2-3(5(14)15)4(2)9(8)6(16)12-7(17)13-9/h2-4H,1H2,(H,14,15)(H2,12,13,16,17)
InChIKeyXENBONGIEQFEDJ-UHFFFAOYSA-N
MW246.17 g/mol
LogP-0.45
Rot. Bonds1

About 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid

3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid (PubChem CID 20704006) has the molecular formula C9H8F2N2O4 and a molecular weight of 246.17 g/mol. Its IUPAC name is 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
PubChem CID20704006
Molecular FormulaC9H8F2N2O4
Molecular Weight246.17 g/mol
Exact Mass246.05
IUPAC Name3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
SMILESO=C1NC(=O)C2(N1)C1C(CC2(F)F)C1C(=O)O
InChIInChI=1S/C9H8F2N2O4/c10-8(11)1-2-3(5(14)15)4(2)9(8)6(16)12-7(17)13-9/h2-4H,1H2,(H,14,15)(H2,12,13,16,17)
InChIKeyXENBONGIEQFEDJ-UHFFFAOYSA-N
XLogP-0.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic 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 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The IUPAC name of 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid (CID 20704006) is 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The canonical SMILES for 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid is O=C1NC(=O)C2(N1)C1C(CC2(F)F)C1C(=O)O.
What is the InChIKey of 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The InChIKey is XENBONGIEQFEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O4/c10-8(11)1-2-3(5(14)15)4(2)9(8)6(16)12-7(17)13-9/h2-4H,1H2,(H,14,15)(H2,12,13,16,17).
What are the key properties of 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid has a molecular weight of 246.17 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid is sourced from PubChem (CID 20704006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).