Cas no 77949-43-0 (Acetic acid, trifluoro-, 3-methyl-2-butenyl ester)
77949-43-0 structure
Product Name:Acetic acid, trifluoro-, 3-methyl-2-butenyl ester
CAS No:77949-43-0
MF:C7H9F3O2
MW:182.140372991562
CID:535218
PubChem ID:12473783
Update Time:2025-04-19
Acetic acid, trifluoro-, 3-methyl-2-butenyl ester Chemical and Physical Properties
Names and Identifiers
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- Acetic acid, trifluoro-, 3-methyl-2-butenyl ester
- 3-methylbut-2-enyl 2,2,2-trifluoroacetate
- DTXSID20499614
- 77949-43-0
- 3-Methylbut-2-en-1-yl trifluoroacetate
- SCHEMBL6244415
- FSPSFOXDJIBXAF-UHFFFAOYSA-N
-
- Inchi： 1S/C7H9F3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h3H,4H2,1-2H3
- InChI Key： FSPSFOXDJIBXAF-UHFFFAOYSA-N
- SMILES： FC(C(=O)OC/C=C(\C)/C)(F)F
Computed Properties
- Exact Mass: 182.05546401g/mol
- Monoisotopic Mass: 182.05546401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 189
- 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: 2.7
- Topological Polar Surface Area: 26.3?2
Acetic acid, trifluoro-, 3-methyl-2-butenyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
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