Basic information
- CAS
478260-34-3- Standard SMILES
O=C(C=CN1CCC2(CC1)OCCO2)C(F)(F)F- InChIKey
BOZIOYZXXDNBGS-UHFFFAOYSA-N- Molecular formula
- C11H14F3NO3
- Average molar mass
- 265.23 g/mol
- Monoisotopic mass
- 265.09257779
Names & identifiers
- Preferred name
- 4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluorobut-3-en-2-one
- IUPAC
- 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluorobut-3-en-2-one
- English name
- (E)-4-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)-1,1,1-TRIFLUORO-3-BUTEN-2-ONE
- Molecular formula
- C11H14F3NO3
- Molecular weight
- 265.23
Names & synonyms
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluorobut-3-en-2-one4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-1,1,1-trifluorobut-3-en-2-one4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-1,1,1-trifluoro-3-buten-2-oneDTXSID0011625724-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoro-but-3-en-2-oneAKOS0302456883-Buten-2-one, 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1,1,1-trifluoro-(E)-4-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)-1,1,1-TRIFLUORO-3-BUTEN-2-ONE(3E)-4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-1,1,1-trifluorobut-3-en-2-one
Database identifiers
- CAS
478260-34-3- PubChem CID
- 3733558
- DTXSID
DTXSID001162572
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 283.6 · 283.6±40.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 5.97 · 5.97±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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