Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
21704-21-2- Standard SMILES
O=C(CCCN1CCC2(CCCC(C(F)(F)F)C2)CC1)c1ccc(F)cc1- InChIKey
CLRQXMRTTXJHLG-UHFFFAOYSA-N- Molecular formula
- C21H27F4NO
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.20287713
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-
- IUPAC
- 1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one
- English name
- 4'-Fluoro-γ-[8-(trifluoromethyl)-3-azaspiro[5.5]undec-3-yl]butyrophenone
- Molecular formula
- C21H27F4NO
- Molecular weight
- 385.44
Names & synonyms
21704-21-24'-Fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)butyrophenoneBUTYROPHENONE, 4'-FLUORO-4-(8-(TRIFLUOROMETHYL)-3-AZASPIRO(5.5)UNDEC-3-YL)-RefChem:331426DTXSID009443191-(4-Fluorophenyl)-4-[8-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one4'-Fluoro-gamma-[8-(trifluoromethyl)-3-azaspiro[5.5]undec-3-yl]butyrophenone4'-Fluoro-γ-[8-(trifluoromethyl)-3-azaspiro[5.5]undec-3-yl]butyrophenone1-Butanone, 1-(4-fluorophenyl)-4-[8-(trifluoromethyl)-3-azaspiro[5.5]undec-3-yl]-
Database identifiers
- CAS
21704-21-2- PubChem CID
- 30761
- DTXSID
DTXSID00944319- Nikkaji
- J67.474E
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 454 · 454.0±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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