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

2-Difluoromethoxy-6-fluorobenzamide O-cyclopropylmethyl oxime

HCID 86758366
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=NOCC1CC1)c1c(F)cccc1OC(F)F
InChIKey
GZAJRTQUQYMXEQ-UHFFFAOYSA-N
Molecular formula
C12H13F3N2O2
Average molar mass
274.24 g/mol

Names & identifiers

Preferred name
2-Difluoromethoxy-6-fluorobenzamide O-cyclopropylmethyl oxime
IUPAC
N'-(cyclopropylmethoxy)-2-(difluoromethoxy)-6-fluorobenzenecarboximidamide

Names & synonyms

2-Difluoromethoxy-6-fluorobenzamide O-cyclopropylmethyl oximeSCHEMBL6731151

Database identifiers

PubChem CID
86758366

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
324

Related reactions

4 records
New reaction record
HRID 319509 reaction equation
HRID 319509As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1635690 reaction equation
HRID 1635690As productuspto-grants-2003_01
HRID 1840659 reaction equation
HRID 1840659As productuspto-grants-2004_01
HRID 2229886 reaction equation
HRID 2229886As productuspto-grants-2002_07

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes