HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-(2,6-Difluoro-4-nitro-phenyl)-3-aza-bicyclo[3.1.0]hexane

HCID 11424971
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(F)c(N2CC3CC3C2)c(F)c1
InChIKey
HQOUYFZTYXCABS-UHFFFAOYSA-N
Molecular formula
C11H10F2N2O2
Average molar mass
240.21 g/mol
Monoisotopic mass
240.07103389

Names & identifiers

Preferred name
3-(2,6-Difluoro-4-nitro-phenyl)-3-aza-bicyclo[3.1.0]hexane
IUPAC
3-(2,6-difluoro-4-nitrophenyl)-3-azabicyclo[3.1.0]hexane

Names & synonyms

SCHEMBL6211391HQOUYFZTYXCABS-UHFFFAOYSA-N3-(2,6-difluoro-4-nitro-phenyl)-3-aza-bicyclo[3.1.0]hexane

Database identifiers

PubChem CID
11424971

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
314

Related reactions

3 records
New reaction record
HRID 1814030 reaction equation
HRID 1814030As productuspto-grants-2005_04
HRID 1814031 reaction equation
HRID 1814031As reactantuspto-grants-2005_04
HRID 2332368 reaction equation
HRID 2332368As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes