Cas no 93667-89-1 (Propanoic acid, 3,3,3-trifluoro-, trifluoromethyl ester)
93667-89-1 structure
Product Name:Propanoic acid, 3,3,3-trifluoro-, trifluoromethyl ester
CAS No:93667-89-1
MF:C4H2F6O2
MW:196.047902584076
CID:735586
PubChem ID:71330021
Update Time:2025-04-19
Propanoic acid, 3,3,3-trifluoro-, trifluoromethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3,3,3-trifluoro-, trifluoromethyl ester
- trifluoromethyl 3,3,3-trifluoropropanoate
- HRADOMFTXBAHOC-UHFFFAOYSA-N
- SCHEMBL15299829
- 93667-89-1
- DTXSID50758781
-
- Inchi： 1S/C4H2F6O2/c5-3(6,7)1-2(11)12-4(8,9)10/h1H2
- InChI Key： HRADOMFTXBAHOC-UHFFFAOYSA-N
- SMILES： FC(CC(=O)OC(F)(F)F)(F)F
Computed Properties
- Exact Mass: 195.99589827g/mol
- Monoisotopic Mass: 195.99589827g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 3,3,3-trifluoro-, trifluoromethyl ester Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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