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Basic information
- CAS
5283-30-7- Standard SMILES
N#CC(C#N)=Cc1ccc(C(F)(F)F)cc1- InChIKey
AJXQNQPMIUKVOH-UHFFFAOYSA-N- Molecular formula
- C11H5F3N2
- Average molar mass
- 222.17 g/mol
- Monoisotopic mass
- 222.04048282
Names & identifiers
- Preferred name
- (4-(Trifluoromethyl)benzylidene)malononitrile
- IUPAC
- 2-[[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
Names & synonyms
5283-30-7(4-(trifluoromethyl)benzylidene)malononitrileDTXSID50351933RefChem:208523DTXCID4030299975833-84-0[4-(trifluoromethyl)benzylidene]propanedinitrile2-(4-TRIFLUOROBENZYLIDENE)-MALONONITRILE2-{[4-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}PROPANEDINITRILE2-(4-(trifluoromethyl)benzylidene)malononitrile2-[[4-(trifluoromethyl)phenyl]methylidene]propanedinitrileMaybridge1_007889
Show more names
SCHEMBL3369087HMS563O13MFCD00112001STL137025AKOS005715092ST51012215{[4-(Trifluoromethyl)phenyl]methylidene}propanedinitrileF6782-3627
Database identifiers
- CAS
5283-30-7- PubChem CID
- 714296
- DTXSID
DTXSID50351933- Nikkaji
- J981.949E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Related reactions
3 records
Compound notes
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