Trifluoromethylmalonyl fluoride

HCID 12951306

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(F)C(C(=O)F)C(F)(F)F
InChIKey: GAYZSLNQAJIBRC-UHFFFAOYSA-N
Molecular formula: C4HF5O2
Average molar mass: 176.04 g/mol

Names & identifiers

Preferred name: Trifluoromethylmalonyl fluoride
IUPAC: 2-(trifluoromethyl)propanedioyl difluoride

Names & synonyms

trifluoromethylmalonyl fluorideCF3CH(COF)2SCHEMBL11814950

Database identifiers

PubChem CID: 12951306

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 169

Related reactions

6 records

New reaction record

HRID 121068 reaction equation

HRID 121068As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 804774 reaction equation

HRID 804774As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1657954 reaction equation

HRID 1657954As reactantuspto-grants-1976_06

HRID 1657955 reaction equation

HRID 1657955As reactantuspto-grants-1976_06

HRID 1657957 reaction equation

HRID 1657957As reactantuspto-grants-1976_06

HRID 1657959 reaction equation

HRID 1657959As reactantuspto-grants-1976_06

Compound notes

Loading…