3-Azaspiro(5.5)undecane, 3-(3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)propyl)-
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Basic information
- CAS
1167-20-0- Standard SMILES
FC(F)(F)c1cccc(OCCCN2CCC3(CCCCC3)CC2)c1- InChIKey
DJBUNNYSMQHCMK-UHFFFAOYSA-N- Molecular formula
- C20H28F3NO
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.212299
Names & identifiers
- Preferred name
- 3-Azaspiro(5.5)undecane, 3-(3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)propyl)-
- IUPAC
- 3-[3-[3-(trifluoromethyl)phenoxy]propyl]-3-azaspiro[5.5]undecane
- English name
- 3-[3-[(α,α,α-Trifluoro-m-tolyl)oxy]propyl]-3-azaspiro[5.5]undecane
- Molecular formula
- C20H28F3NO
- Molecular weight
- 355.4376296
Names & synonyms
1167-20-0BRN 13520403-AZASPIRO(5.5)UNDECANE, 3-(3-((alpha,alpha,alpha-TRIFLUORO-m-TOLYL)OXY)PROPYL)-DTXSID101514763-(3-((alpha,alpha,alpha-Trifluoro-m-tolyl)oxy)propyl)3-azaspiro(5.5)undecaneRefChem:276791DTXCID90739673-[3-[(alpha,alpha,alpha-Trifluoro-m-tolyl)oxy]propyl]-3-azaspiro[5.5]undecane3-[3-[3-(trifluoromethyl)phenoxy]propyl]-3-azaspiro[5.5]undecane3-{3-[3-(trifluoromethyl)phenoxy]propyl}-3-azaspiro[5.5]undecane3-[3-[(α,α,α-Trifluoro-m-tolyl)oxy]propyl]-3-azaspiro[5.5]undecane
Database identifiers
- CAS
1167-20-0- PubChem CID
- 14427
- DTXSID
DTXSID10151476- Nikkaji
- J84.629E
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
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Compound notes
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