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-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)(4-fluorophenyl)methanone

HCID 59458419
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1
InChIKey
VHJNWKKKIJTYKM-UHFFFAOYSA-N
Molecular formula
C15H8F6O2
Average molar mass
334.21 g/mol

Names & identifiers

Preferred name
(3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)(4-fluorophenyl)methanone
IUPAC
(4-fluorophenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone

Names & synonyms

(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)(4-fluorophenyl)methanoneSCHEMBL759899(3-fluoro-5-(1,1,2,2-tetrafluoro ethoxy)phenyl)(4-fluorophenyl)methanone

Database identifiers

PubChem CID
59458419

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
409

Related reactions

7 records
New reaction record
HRID 168544 reaction equation
HRID 168544As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 194264 reaction equation
HRID 194264As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 238725 reaction equation
HRID 238725As productuspto-grants-2014_02
HRID 238726 reaction equation
HRID 238726As reactantuspto-grants-2014_02
HRID 1712693 reaction equation
HRID 1712693As reactantuspto-grants-2010_09
HRID 1874148 reaction equation
HRID 1874148As productuspto-grants-2012_11
HRID 1874149 reaction equation
HRID 1874149As reactantuspto-grants-2012_11

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes