Cas no 62679-59-8 (2,4-Octanedione, 1,1-difluoro-)
62679-59-8 structure
Product Name:2,4-Octanedione, 1,1-difluoro-
CAS No:62679-59-8
MF:C8H12F2O2
MW:178.176489830017
CID:435484
PubChem ID:23005498
Update Time:2025-04-19
2,4-Octanedione, 1,1-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Octanedione, 1,1-difluoro-
- 1,1-difluorooctane-2,4-dione
- DTXSID60629670
- 62679-59-8
- AKOS004115378
-
- Inchi： 1S/C8H12F2O2/c1-2-3-4-6(11)5-7(12)8(9)10/h8H,2-5H2,1H3
- InChI Key： UOLXPFYBJHLHJI-UHFFFAOYSA-N
- SMILES： FC(C(CC(CCCC)=O)=O)F
Computed Properties
- Exact Mass: 178.08056
- Monoisotopic Mass: 178.08053595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 166
- 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
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,4-Octanedione, 1,1-difluoro- Related Literature
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
62679-59-8 (2,4-Octanedione, 1,1-difluoro-) Related Products
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