Cas no 138852-02-5 (Diethyl 3-(trifluoromethyl)pentanedioate)
138852-02-5 structure
Product Name:Diethyl 3-(trifluoromethyl)pentanedioate
CAS No:138852-02-5
MF:C10H15F3O4
MW:256.218914270401
CID:2773575
PubChem ID:15120316
Update Time:2025-04-21
Diethyl 3-(trifluoromethyl)pentanedioate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID90568503
- Diethyl 3-(trifluoromethyl)pentanedioate
- SCHEMBL8668654
- VTWOCWLXEBQQRD-UHFFFAOYSA-N
- 138852-02-5
-
- Inchi： 1S/C10H15F3O4/c1-3-16-8(14)5-7(10(11,12)13)6-9(15)17-4-2/h7H,3-6H2,1-2H3
- InChI Key： VTWOCWLXEBQQRD-UHFFFAOYSA-N
- SMILES： FC(C(CC(=O)OCC)CC(=O)OCC)(F)F
Computed Properties
- Exact Mass: 256.09224344Da
- Monoisotopic Mass: 256.09224344Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 243
- 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
- Topological Polar Surface Area: 52.6?2
Diethyl 3-(trifluoromethyl)pentanedioate Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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