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Basic information
- CAS
1383985-46-3- Standard SMILES
O=C1CCC2(CC1)Cc1ccc(OCCC(F)(F)F)cc1C2=O- InChIKey
HTQSDVYAHNDIFL-UHFFFAOYSA-N- Molecular formula
- C17H17F3O3
- Average molar mass
- 326.31 g/mol
- Monoisotopic mass
- 326.11297906
Names & identifiers
- Preferred name
- 6'-(3,3,3-Trifluoropropoxy)spiro[cyclohexane-1,2'-indene]-1',4(3'H)-dione
- IUPAC
- 6-(3,3,3-trifluoropropoxy)spiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
Names & synonyms
6'-(3,3,3-Trifluoropropoxy)spiro[cyclohexane-1,2'-indene]-1',4(3'H)-dione1383985-46-36-(3,3,3-trifluoropropoxy)spiro[3H-indene-2,4'-cyclohexane]-1,1'-dioneSpiro[cyclohexane-1,2'-[2H]indene]-3',4(1'H)-dione, 5'-(3,3,3-trifluoropropoxy)-SCHEMBL9948033DTXSID501140355A1-255975a(2)-(3,3,3-Trifluoropropoxy)spiro[cyclohexane-1,2a(2)-[2H]indene]-3a(2),4(1a(2)H)-dione
Database identifiers
- CAS
1383985-46-3- PubChem CID
- 67979397
- DTXSID
DTXSID501140355
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
5 records
Compound notes
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