Cas no 61637-92-1 (3-Pentanone, 1,1,1,2,2,5,5,5-octafluoro-)
61637-92-1 structure
Product Name:3-Pentanone, 1,1,1,2,2,5,5,5-octafluoro-
CAS No:61637-92-1
MF:C5H2F8O
MW:230.05600976944
CID:471867
PubChem ID:12530413
Update Time:2025-04-19
3-Pentanone, 1,1,1,2,2,5,5,5-octafluoro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone, 1,1,1,2,2,5,5,5-octafluoro-
- 1,1,1,2,2,5,5,5-octafluoropentan-3-one
- 61637-92-1
- DTXSID20501504
- SCHEMBL14769297
- QNVSPRVCTSUPKF-UHFFFAOYSA-N
-
- Inchi： 1S/C5H2F8O/c6-3(7,8)1-2(14)4(9,10)5(11,12)13/h1H2
- InChI Key： QNVSPRVCTSUPKF-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(C(CC(F)(F)F)=O)F
Computed Properties
- Exact Mass: 229.99776
- Monoisotopic Mass: 229.99778998g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 223
- 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: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Pentanone, 1,1,1,2,2,5,5,5-octafluoro- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
61637-92-1 (3-Pentanone, 1,1,1,2,2,5,5,5-octafluoro-) Related Products
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