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

C10H10F2N2O4 — CID 20704015

IUPACmethyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate
SMILESCOC(=O)C1C2CC(F)(F)C3(NC(=O)NC3=O)C21
InChIInChI=1S/C10H10F2N2O4/c1-18-6(15)4-3-2-9(11,12)10(5(3)4)7(16)13-8(17)14-10/h3-5H,2H2,1H3,(H2,13,14,16,17)
InChIKeyLQVBQRMFHDCWOX-UHFFFAOYSA-N
MW260.20 g/mol
LogP-0.36
Rot. Bonds1

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

methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate (PubChem CID 20704015) has the molecular formula C10H10F2N2O4 and a molecular weight of 260.20 g/mol. Its IUPAC name is methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate
PubChem CID20704015
Molecular FormulaC10H10F2N2O4
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Namemethyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate
SMILESCOC(=O)C1C2CC(F)(F)C3(NC(=O)NC3=O)C21
InChIInChI=1S/C10H10F2N2O4/c1-18-6(15)4-3-2-9(11,12)10(5(3)4)7(16)13-8(17)14-10/h3-5H,2H2,1H3,(H2,13,14,16,17)
InChIKeyLQVBQRMFHDCWOX-UHFFFAOYSA-N
XLogP-0.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
The IUPAC name of methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate (CID 20704015) is methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate.
What is the SMILES notation for methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
The canonical SMILES for methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate is COC(=O)C1C2CC(F)(F)C3(NC(=O)NC3=O)C21.
What is the InChIKey of methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
The InChIKey is LQVBQRMFHDCWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O4/c1-18-6(15)4-3-2-9(11,12)10(5(3)4)7(16)13-8(17)14-10/h3-5H,2H2,1H3,(H2,13,14,16,17).
What are the key properties of methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate has a molecular weight of 260.20 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-difluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate is sourced from PubChem (CID 20704015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).