3-(4-Tert-butylphenyl)-1,1,1-trifluoro-2-propanone
Basic information
- CAS
142505-28-0- Standard SMILES
CC(C)(C)c1ccc(CC(=O)C(F)(F)F)cc1- InChIKey
DMOGLIBZXOQNCP-UHFFFAOYSA-N- Molecular formula
- C13H15F3O
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.10749958
Names & identifiers
- Preferred name
- 3-(4-Tert-butylphenyl)-1,1,1-trifluoro-2-propanone
- IUPAC
- 3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-one
- English name
- 3-(4-tert-Butylphenyl)-1,1,1-trifluoro-2-propanone
- Molecular formula
- C13H15F3O
- Molecular weight
- 244.25
Names & synonyms
142505-28-03-(4-TERT-BUTYLPHENYL)-1,1,1-TRIFLUORO-2-PROPANONE3-(4-tert-Butylphenyl)-1,1,1-trifluoropropan-2-oneMFCD022608593-(4-(Tert-butyl)phenyl)-1,1,1-trifluoropropan-2-oneDTXSID70645240AKOS006164906CS-02725771-(4-t-butyl)phenyl-3,3,3-trifluoropropanoneEN300-1931323F2070573-(4-tert-butylphenyl)-1,1,1-trifluoro-propan-2-one
Show more names
2-Propanone, 3-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro-
Database identifiers
- CAS
142505-28-0- PubChem CID
- 24726850
- DTXSID
DTXSID70645240
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 252 · 252.0±35.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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