Basic information
- Standard SMILES
CCN(CC)c1ccc(C#N)cc1C(F)(F)F- InChIKey
XCBKRFNFLQZHRK-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2
- Average molar mass
- 242.24 g/mol
- Monoisotopic mass
- 242.10308291
Names & identifiers
- Preferred name
- 4-(Diethylamino)-3-(trifluoromethyl)benzonitrile
- IUPAC
- 4-(diethylamino)-3-(trifluoromethyl)benzonitrile
Names & synonyms
4-(Diethylamino)-3-(trifluoromethyl)benzonitrile677704-53-9SCHEMBL3527583MFCD322193974-Diethylamino-3-(trifluoromethyl)-benzonitrileA1-23590
Database identifiers
- PubChem CID
- 68677448
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Compound notes
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