Cas no 76944-22-4 (2-Pentanone,1,1,1,3,4,4,5,5,5-nonafluoro-)
76944-22-4 structure
Product Name:2-Pentanone,1,1,1,3,4,4,5,5,5-nonafluoro-
CAS No:76944-22-4
MF:C5HF9O
MW:248.046473264694
CID:548654
PubChem ID:12578758
Update Time:2025-04-19
2-Pentanone,1,1,1,3,4,4,5,5,5-nonafluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone,1,1,1,3,4,4,5,5,5-nonafluoro-
- 3H-PERFLUOROPENTAN-2-ONE
- 76944-22-4
-
- Inchi： 1S/C5HF9O/c6-1(2(15)4(9,10)11)3(7,8)5(12,13)14/h1H
- InChI Key： GJKSHIWRLBSEIL-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(C(C(C(F)(F)F)=O)F)F
Computed Properties
- Exact Mass: 247.98833
- Monoisotopic Mass: 247.98836811g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Pentanone,1,1,1,3,4,4,5,5,5-nonafluoro- Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
76944-22-4 (2-Pentanone,1,1,1,3,4,4,5,5,5-nonafluoro-) Related Products
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