2-[8-(1,4-Dioxa-8-azaspiro[4.5]decyl)methyl]-3'-fluorobenzophenone
Basic information
- CAS
898756-04-2- Standard SMILES
O=C(c1cccc(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2- InChIKey
BPEMXCIJWBBQKO-UHFFFAOYSA-N- Molecular formula
- C21H22FNO3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.15837173
Names & identifiers
- Preferred name
- 2-[8-(1,4-Dioxa-8-azaspiro[4.5]decyl)methyl]-3'-fluorobenzophenone
- IUPAC
- [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-(3-fluorophenyl)methanone
- English name
- 2-[8-(1,4-Dioxa-8-azaspiro[4.5]decyl)methyl]-3'-fluorobenzophenone
- Molecular formula
- C21H22FNO3
- Molecular weight
- 355.4
Names & synonyms
898756-04-22-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]-3'-fluorobenzophenone(2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl)(3-fluorophenyl)methanoneMFCD03842706[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-(3-fluorophenyl)methanone(2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-fluorophenyl)methanone{2-[(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl}(3-fluorophenyl)methanoneDTXSID70643761AKOS016020764[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl](3-fluorophenyl)methanoneMethanone, [2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl](3-fluorophenyl)-
Database identifiers
- CAS
898756-04-2- PubChem CID
- 24725366
- DTXSID
DTXSID70643761
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Boiling point
- 512.3 · 512.3±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.20(Predicted)
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Compound notes
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