Basic information
- CAS
5561-76-2- Standard SMILES
N/C(=C\C(=O)/C=C/c1ccco1)C(F)(F)F- InChIKey
HTEGKIMDIROUEE-KXIWCOCFSA-N- Molecular formula
- C10H8F3NO2
- Average molar mass
- 231.17 g/mol
- Monoisotopic mass
- 231.05071298
Names & identifiers
- Preferred name
- (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one
- IUPAC
- (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one
Names & synonyms
(1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-oneAF-407/36112011DTXSID70356723STK005421AKOS005375275NCGC00329036-01AB00089283-01AB00089283-03SR-01000213367SR-01000213367-15-amino-6,6,6-trifluoro-1-(2-furyl)-1,4-hexadien-3-one
Database identifiers
- CAS
5561-76-2- PubChem CID
- 830108
- DTXSID
DTXSID70356723
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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