2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)-3,4-dihydronaphthalen-1(2h)-one
Basic information
- CAS
35474-71-6- Standard SMILES
O=C1C(=C(C(F)(F)F)C(F)(F)F)CCc2ccccc21- InChIKey
HIIFNTTVSSKCKH-UHFFFAOYSA-N- Molecular formula
- C13H8F6O
- Average molar mass
- 294.19 g/mol
- Monoisotopic mass
- 294.04793385
Names & identifiers
- Preferred name
- 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)-3,4-dihydronaphthalen-1(2h)-one
- IUPAC
- 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,4-dihydronaphthalen-1-one
Names & synonyms
35474-71-62-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,4-dihydronaphthalen-1(2h)-oneNSC162050DTXSID40303789NSC-1620501(2H)-Naphthalenone, 3,4-dihydro-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-
Database identifiers
- CAS
35474-71-6- PubChem CID
- 294098
- DTXSID
DTXSID40303789
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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