Cas no 62656-65-9 (Acetonitrile, [1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]-)
62656-65-9 structure
Product Name:Acetonitrile, [1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]-
CAS No:62656-65-9
MF:C5H2F7NO
MW:225.064305782318
CID:436339
PubChem ID:71384124
Update Time:2025-04-19
Acetonitrile, [1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, [1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]-
- 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetonitrile
- [(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)oxy]acetonitrile
- 62656-65-9
- DTXSID20806400
-
- Inchi: 1S/C5H2F7NO/c6-3(4(7,8)9,5(10,11)12)14-2-1-13/h2H2
- InChI Key: PERIAHFTURTYMK-UHFFFAOYSA-N
- SMILES: FC(C(F)(F)F)(C(F)(F)F)OCC#N
Computed Properties
- Exact Mass: 225.00246
- Monoisotopic Mass: 225.00246082g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 2.4
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
Acetonitrile, [1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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