Cas no 108214-46-6 (1,1,1,2,2-pentafluorooctan-3-one)
108214-46-6 structure
Product Name:1,1,1,2,2-pentafluorooctan-3-one
CAS No:108214-46-6
MF:C8H11F5O
MW:218.164360284805
CID:1185589
PubChem ID:13790065
Update Time:2025-04-20
1,1,1,2,2-pentafluorooctan-3-one Chemical and Physical Properties
Names and Identifiers
-
- 1,1,1,2,2-pentafluorooctan-3-one
- DTXSID40549504
- SCHEMBL9059827
- 108214-46-6
- YJKWPCVLANWIBB-UHFFFAOYSA-N
-
- Inchi： 1S/C8H11F5O/c1-2-3-4-5-6(14)7(9,10)8(11,12)13/h2-5H2,1H3
- InChI Key： YJKWPCVLANWIBB-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(C(CCCCC)=O)F
Computed Properties
- Exact Mass: 218.07300578g/mol
- Monoisotopic Mass: 218.07300578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 196
- 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: 3.6
- Topological Polar Surface Area: 17.1?2
1,1,1,2,2-pentafluorooctan-3-one Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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