3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane

C10H8F2N2O3 — CID 22505093

IUPAC3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESO=[N+]([O-])c1cc(F)c(N2CC3OC3C2)c(F)c1
InChIInChI=1S/C10H8F2N2O3/c11-6-1-5(14(15)16)2-7(12)10(6)13-3-8-9(4-13)17-8/h1-2,8-9H,3-4H2
InChIKeyYHMLHVFMIYLYAU-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.46
Rot. Bonds2

About 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane

3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 22505093) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID22505093
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESO=[N+]([O-])c1cc(F)c(N2CC3OC3C2)c(F)c1
InChIInChI=1S/C10H8F2N2O3/c11-6-1-5(14(15)16)2-7(12)10(6)13-3-8-9(4-13)17-8/h1-2,8-9H,3-4H2
InChIKeyYHMLHVFMIYLYAU-UHFFFAOYSA-N
XLogP1.46
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane 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-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane (CID 22505093) is 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane is O=[N+]([O-])c1cc(F)c(N2CC3OC3C2)c(F)c1.
What is the InChIKey of 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is YHMLHVFMIYLYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c11-6-1-5(14(15)16)2-7(12)10(6)13-3-8-9(4-13)17-8/h1-2,8-9H,3-4H2.
What are the key properties of 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane?
3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 242.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-nitrophenyl)-6-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 22505093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).