Cas no 61794-52-3 (2-Propyn-1-ol, 3,3'-(2,3,5,6-tetrafluoro-1,4-phenylene)bis-)
61794-52-3 structure
Product Name:2-Propyn-1-ol, 3,3'-(2,3,5,6-tetrafluoro-1,4-phenylene)bis-
CAS No:61794-52-3
MF:C12H6F4O2
MW:258.168457508087
CID:466061
PubChem ID:71392143
Update Time:2025-04-19
2-Propyn-1-ol, 3,3'-(2,3,5,6-tetrafluoro-1,4-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propyn-1-ol, 3,3'-(2,3,5,6-tetrafluoro-1,4-phenylene)bis-
- 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
- 61794-52-3
- DTXSID50813965
- 3,3'-(2,3,5,6-Tetrafluoro-1,4-phenylene)di(prop-2-yn-1-ol)
-
- Inchi： 1S/C12H6F4O2/c13-9-7(3-1-5-17)10(14)12(16)8(11(9)15)4-2-6-18/h17-18H,5-6H2
- InChI Key： MCNJQIZYHOWUQQ-UHFFFAOYSA-N
- SMILES： FC1C(=C(C#CCO)C(=C(C=1C#CCO)F)F)F
Computed Properties
- Exact Mass: 258.03038
- Monoisotopic Mass: 258.03039208g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 357
- 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: 40.5?2
Experimental Properties
- PSA: 40.46
2-Propyn-1-ol, 3,3'-(2,3,5,6-tetrafluoro-1,4-phenylene)bis- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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