Cas no 62935-40-4 (Propanedioic acid, (trifluoromethyl)-, ethyl 2-methylpropyl ester)
62935-40-4 structure
Product Name:Propanedioic acid, (trifluoromethyl)-, ethyl 2-methylpropyl ester
CAS No:62935-40-4
MF:C10H15F3O4
MW:256.218914270401
CID:428621
PubChem ID:71381786
Update Time:2025-04-19
Propanedioic acid, (trifluoromethyl)-, ethyl 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (trifluoromethyl)-, ethyl 2-methylpropyl ester
- 1-O-ethyl 3-O-(2-methylpropyl) 2-(trifluoromethyl)propanedioate
- 62935-40-4
- Ethyl 2-methylpropyl (trifluoromethyl)propanedioate
- DTXSID20804209
-
- Inchi： 1S/C10H15F3O4/c1-4-16-8(14)7(10(11,12)13)9(15)17-5-6(2)3/h6-7H,4-5H2,1-3H3
- InChI Key： OZPOOUQFVIRAKI-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OCC)C(=O)OCC(C)C)(F)F
Computed Properties
- Exact Mass: 256.09225
- Monoisotopic Mass: 256.09224344g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (trifluoromethyl)-, ethyl 2-methylpropyl ester Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
62935-40-4 (Propanedioic acid, (trifluoromethyl)-, ethyl 2-methylpropyl ester) Related Products
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