3-Fluoropropionitrile
Basic information
- CAS
504-62-1- Standard SMILES
N#CCCF- InChIKey
UBAVIHIGWASOOU-UHFFFAOYSA-N- Molecular formula
- C3H4FN
- Average molar mass
- 73.07 g/mol
- Monoisotopic mass
- 73.03277729
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Fluoropropionitrile
- IUPAC
- 3-fluoropropanenitrile
Names & synonyms
3-FluoropropionitrileRefChem:9113303-fluoropropanenitrilePropionitrile, 3-fluoro-504-62-1BRN 1738039SCHEMBL575849SCHEMBL28049264DTXSID10198442AKOS019264753EN300-365765
Database identifiers
- CAS
504-62-1- PubChem CID
- 68155
- DTXSID
DTXSID10198442- Nikkaji
- J2.819.735G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 51.2
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Compound notes
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