Cas no 62935-32-4 (Propanedioic acid, (trifluoromethyl)-, bis(2-methylpropyl) ester)
62935-32-4 structure
Product Name:Propanedioic acid, (trifluoromethyl)-, bis(2-methylpropyl) ester
CAS No:62935-32-4
MF:C12H19F3O4
MW:284.27207493782
CID:428629
PubChem ID:71381794
Update Time:2025-04-19
Propanedioic acid, (trifluoromethyl)-, bis(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (trifluoromethyl)-, bis(2-methylpropyl) ester
- bis(2-methylpropyl) 2-(trifluoromethyl)propanedioate
- 62935-32-4
- Bis(2-methylpropyl) (trifluoromethyl)propanedioate
- DTXSID50804217
-
- Inchi： 1S/C12H19F3O4/c1-7(2)5-18-10(16)9(12(13,14)15)11(17)19-6-8(3)4/h7-9H,5-6H2,1-4H3
- InChI Key： AQWNGHVEYQFBQZ-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OCC(C)C)C(=O)OCC(C)C)(F)F
Computed Properties
- Exact Mass: 284.12357
- Monoisotopic Mass: 284.12354357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 287
- 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: 3.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (trifluoromethyl)-, bis(2-methylpropyl) ester Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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