Basic information
- CAS
666-13-7- Standard SMILES
C#CC(=O)F- InChIKey
PRSGFPWUVCZWRX-UHFFFAOYSA-N- Molecular formula
- C3HFO
- Average molar mass
- 72.04 g/mol
- Monoisotopic mass
- 72.00114281
Names & identifiers
- Preferred name
- Prop-2-ynoyl Fluoride
- IUPAC
- prop-2-ynoyl fluoride
Names & synonyms
Prop-2-ynoyl Fluoridepropynoyl fluoridePropioloyl fluoridepropargylic fluoride2-Propynoyl fluorideSCHEMBL6501689PRSGFPWUVCZWRX-UHFFFAOYSA-NDTXSID201315137666-13-7InChI=1/C3HFO/c1-2-3(4)5/h1
Database identifiers
- CAS
666-13-7- PubChem CID
- 5325488
- DTXSID
DTXSID201315137- Nikkaji
- J445.982B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 86
Related reactions
1 records
Compound notes
Loading…