Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
3-Trifluoromethyl-1,4,4,4-tetrafluoro-1-butene (HCID 53799523)|Huagongshe
Home
/
Compound
3-Trifluoromethyl-1,4,4,4-tetrafluoro-1-butene
HCID
53799523
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
FC=CC(C(F)(F)F)C(F)(F)F
InChIKey
FHKSBNVLMZMYCI-UHFFFAOYSA-N
Molecular formula
C5H3F7
Average molar mass
196.07 g/mol
Names & identifiers
Preferred name
3-Trifluoromethyl-1,4,4,4-tetrafluoro-1-butene
IUPAC
1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
Names & synonyms
3-trifluoromethyl-1,4,4,4-tetrafluoro-1-butene
SCHEMBL333610
Database identifiers
PubChem CID
53799523
Properties
Computed structural properties
XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
148
Show all 8
Show all 8 / 8
Related reactions
3 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
118428
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
892370
As product
uspto-grants-1992_06
HRID
1534285
As product
uspto-grants-1992_02
Compound notes
Loading…