2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile
Basic information
- CAS
579-48-6- Standard SMILES
CC(=C(C#N)C#N)c1ccc(F)cc1- InChIKey
BTHFBDPPRQIWGQ-UHFFFAOYSA-N- Molecular formula
- C11H7FN2
- Average molar mass
- 186.18 g/mol
- Monoisotopic mass
- 186.05932639
Names & identifiers
- Preferred name
- 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile
- IUPAC
- 2-[1-(4-fluorophenyl)ethylidene]propanedinitrile
Names & synonyms
2-[1-(4-fluorophenyl)ethylidene]propanedinitrile579-48-62-(1-(4-Fluorophenyl)ethylidene)propanedinitrileRefChem:2496812-(1-(4-Fluorophenyl)ethylidene)malononitrileNSC638144[1-(4-fluorophenyl)ethylidene]propanedinitrile[1-(4-Fluorophenyl)ethylidene]malononitrileSCHEMBL28354801DTXSID301240210STK450372AKOS002337488
Show more names
NSC-638144CS-0364220ST50909633[(4-fluorophenyl)ethylidene]methane-1,1-dicarbonitrile
Database identifiers
- CAS
579-48-6- PubChem CID
- 367941
- DTXSID
DTXSID301240210- Nikkaji
- J2.765.353G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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