Cas no 336-63-0 (Butanoic acid, heptafluoro-, 2,2,2-trifluoroethyl ester)
336-63-0 structure
Product Name:Butanoic acid, heptafluoro-, 2,2,2-trifluoroethyl ester
CAS No:336-63-0
MF:C6H2F10O2
MW:296.062917232513
CID:1459307
PubChem ID:71361101
Update Time:2025-04-20
Butanoic acid, heptafluoro-, 2,2,2-trifluoroethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, heptafluoro-, 2,2,2-trifluoroethyl ester
- 2,2,2-trifluoroethyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 336-63-0
- 2,2,2-Trifluoroethyl heptafluorobutanoate
- DTXSID20784855
-
- Inchi： 1S/C6H2F10O2/c7-3(8,9)1-18-2(17)4(10,11)5(12,13)6(14,15)16/h1H2
- InChI Key： JWRXTBNNEURXGU-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(C(C(=O)OCC(F)(F)F)(F)F)F
Computed Properties
- Exact Mass: 295.98951092g/mol
- Monoisotopic Mass: 295.98951092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 313
- 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: 3.5
- Topological Polar Surface Area: 26.3?2
Butanoic acid, heptafluoro-, 2,2,2-trifluoroethyl ester Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
336-63-0 (Butanoic acid, heptafluoro-, 2,2,2-trifluoroethyl ester) Related Products
- 336-59-4(Heptafluorobutyric Anhydride)
- 356-24-1(Methyl heptafluorobutyrate)
- 424-40-8(Diethyl hexafluoroglutarate)
- 14312-89-1(Methyl perfluoroheptanoate)
- 56554-52-0(methyl perfluorododecanoate)
- 356-27-4(Ethyl Perfluorobutyrate)
- 377-71-9(diethyl tetrafluorosuccinate)
- 51502-45-5(Methyl Perfluorononanoate)
- 376-27-2(Methyl perfluorooctanoate)
- 376-68-1(hexafluorooxane-2,6-dione)
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