2-Propenenitrile, 3-amino-3-[4-(trifluoromethyl)phenyl]-, (E)-
Basic information
- CAS
107840-44-8- Standard SMILES
N#C/C=C(/N)c1ccc(C(F)(F)F)cc1- InChIKey
YKHUYEGEZRFKOV-WEVVVXLNSA-N- Molecular formula
- C10H7F3N2
- Average molar mass
- 212.17 g/mol
- Monoisotopic mass
- 212.05613272
Names & identifiers
- Preferred name
- 2-Propenenitrile, 3-amino-3-[4-(trifluoromethyl)phenyl]-, (E)-
- IUPAC
- (E)-3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Names & synonyms
SCHEMBL561328DTXSID3011783442-Propenenitrile, 3-amino-3-[4-(trifluoromethyl)phenyl]-, (E)-107840-44-8(2E)-3-Amino-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Database identifiers
- CAS
107840-44-8- PubChem CID
- 21784565
- DTXSID
DTXSID301178344
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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