Cas no 112252-95-6 (2-(trifluoromethyl)-1,3-dioxane)
112252-95-6 structure
Product Name:2-(trifluoromethyl)-1,3-dioxane
CAS No:112252-95-6
MF:C5H7F3O2
MW:156.103092432022
CID:2608403
PubChem ID:71336258
Update Time:2025-04-21
2-(trifluoromethyl)-1,3-dioxane Chemical and Physical Properties
Names and Identifiers
-
- 2-(trifluoromethyl)-1,3-dioxane
- DTXSID70764102
- CDTYTFVDZAFHQJ-UHFFFAOYSA-N
- SCHEMBL21828670
- 112252-95-6
- 1,3-Dioxane, 2-(trifluoromethyl)-
-
- Inchi： 1S/C5H7F3O2/c6-5(7,8)4-9-2-1-3-10-4/h4H,1-3H2
- InChI Key： CDTYTFVDZAFHQJ-UHFFFAOYSA-N
- SMILES： FC(C1OCCCO1)(F)F
Computed Properties
- Exact Mass: 156.03981395Da
- Monoisotopic Mass: 156.03981395Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 106
- 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: 1.3
- Topological Polar Surface Area: 18.5?2
2-(trifluoromethyl)-1,3-dioxane Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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