Cas no 81123-99-1 (2-Pentadecanone,1,1,1-trifluoro-)
81123-99-1 structure
Product Name:2-Pentadecanone,1,1,1-trifluoro-
CAS No:81123-99-1
MF:C15H27F3O
MW:280.369495630264
CID:729654
PubChem ID:157729
Update Time:2025-04-19
2-Pentadecanone,1,1,1-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentadecanone,1,1,1-trifluoro-
- 1,1,1-trifluoropentadecan-2-one
- 81123-99-1
- 2-Pentadecanone, 1,1,1-trifluoro-
- DTXSID80230909
- KHVKUGBUCSPTEF-UHFFFAOYSA-N
- BDBM50073970
- CHEMBL89508
- 1,1,1-Trifluoro-pentadecan-2-one
-
- Inchi： 1S/C15H27F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(19)15(16,17)18/h2-13H2,1H3
- InChI Key： KHVKUGBUCSPTEF-UHFFFAOYSA-N
- SMILES： FC(C(CCCCCCCCCCCCC)=O)(F)F
Computed Properties
- Exact Mass: 280.20139997g/mol
- Monoisotopic Mass: 280.20139997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 12
- Complexity: 224
- 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: 7.4
- Topological Polar Surface Area: 17.1?2
2-Pentadecanone,1,1,1-trifluoro- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
81123-99-1 (2-Pentadecanone,1,1,1-trifluoro-) Related Products
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