Cas no 95853-67-1 (ETHYL 3-METHYL-4,4,4-TRIFLUOROBUTYRATE)
95853-67-1 structure
Product Name:ETHYL 3-METHYL-4,4,4-TRIFLUOROBUTYRATE
CAS No:95853-67-1
MF:C7H11F3O2
MW:184.156253099442
CID:827250
PubChem ID:228896
Update Time:2025-04-19
ETHYL 3-METHYL-4,4,4-TRIFLUOROBUTYRATE Chemical and Physical Properties
Names and Identifiers
-
- ETHYL 3-METHYL-4,4,4-TRIFLUOROBUTYRATE
- NSC 22077
- AKOS005259926
- MFCD00040847
- ethyl 4,4,4-trifluoro-3-methylbutanoate
- Ethyl 3-methyl-4,4,4-trifluorobutanoate
- FT-0626002
- ethyl 4,4,4-trifluoro-3-methyl-butanoate
- 95853-67-1
- NSC-22077
- DTXSID60281590
- NSC22077
- 6975-13-9
- ethyl 3-(trifluoromethyl)butyrate
- SCHEMBL197988
- CS-0030985
- C13329
- (+/-)-ethyl 4,4,4-trifluoro-3-methylbutanoate
- CS-15691
- ETHYL-3-(TRIFLUOROMETHYL)BUTYRATE
-
- Inchi： 1S/C7H11F3O2/c1-3-12-6(11)4-5(2)7(8,9)10/h5H,3-4H2,1-2H3
- InChI Key： SRVTXLPAWBTQSA-UHFFFAOYSA-N
- SMILES： FC(C(C)CC(=O)OCC)(F)F
Computed Properties
- Exact Mass: 184.07100
- Monoisotopic Mass: 184.07111408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 153
- 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: 2.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Color/Form: Not determined
- Boiling Point: 135 °C
- Refractive Index: 1.36
- PSA: 26.30000
- LogP: 2.13800
- Solubility: Not determined
ETHYL 3-METHYL-4,4,4-TRIFLUOROBUTYRATE Related Literature
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
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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