3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H7F2NO2 — CID 3739005

IUPAC3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1c1cc(F)ccc1F
InChIInChI=1S/C11H7F2NO2/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(14)16/h1-3,6-7H,4H2
InChIKeyYCZBHGHVOFSZID-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.47
Rot. Bonds1

About 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 3739005) has the molecular formula C11H7F2NO2 and a molecular weight of 223.18 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID3739005
Molecular FormulaC11H7F2NO2
Molecular Weight223.18 g/mol
Exact Mass223.04
IUPAC Name3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1c1cc(F)ccc1F
InChIInChI=1S/C11H7F2NO2/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(14)16/h1-3,6-7H,4H2
InChIKeyYCZBHGHVOFSZID-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 3739005) is 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is YCZBHGHVOFSZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(14)16/h1-3,6-7H,4H2.
What are the key properties of 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 223.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 3739005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).