Cas no 314041-39-9 (3 3 3-TRIFLUORO-1-PHENYL-1 2-PROPANEDIO&)
314041-39-9 structure
Product Name:3 3 3-TRIFLUORO-1-PHENYL-1 2-PROPANEDIO&
CAS No:314041-39-9
MF:C9H7F3O3
MW:220.145293474197
CID:916521
PubChem ID:2781162
Update Time:2025-04-19
3 3 3-TRIFLUORO-1-PHENYL-1 2-PROPANEDIO& Chemical and Physical Properties
Names and Identifiers
-
- 3 3 3-TRIFLUORO-1-PHENYL-1 2-PROPANEDIO&
- 3,3,3-trifluoro-1-phenylpropane-1,2-dione,hydrate
- 3,3,3-Trifluoro-1-phenyl-1,2-propanedione hydrate
- AKOS024370813
- 3,3,3-trifluoro-1-phenylpropane-1,2-dione hydrate
- DTXSID40381749
- 314041-39-9
- 3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
- DB-228419
- 1-phenyl-3,3,3-trifluoro-1,2-propanedione monohydrate
- SCHEMBL3137210
- 1,2-PROPANEDIONE, 3,3,3-TRIFLUORO-1-PHENYL-, HYDRATE (1:1)
-
- Inchi： 1S/C9H5F3O2.H2O/c10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;/h1-5H;1H2
- InChI Key： PSKYXWMZYBYVDK-UHFFFAOYSA-N
- SMILES： FC(C(C(C1C=CC=CC=1)=O)=O)(F)F.O
Computed Properties
- Exact Mass: 220.03471
- Monoisotopic Mass: 220.03472857g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 35.1?2
Experimental Properties
- Color/Form: Not determined
- Melting Point: 80-83?°C(lit.)
- PSA: 65.64
- Solubility: Not determined
3 3 3-TRIFLUORO-1-PHENYL-1 2-PROPANEDIO& Related Literature
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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