Cas no 118460-49-4 (ethyl 2,2-difluoro-3-oxooctanoate)
118460-49-4 structure
Product Name:ethyl 2,2-difluoro-3-oxooctanoate
CAS No:118460-49-4
MF:C10H16F2O3
MW:222.229050636292
CID:2615794
PubChem ID:11106940
Update Time:2025-04-21
ethyl 2,2-difluoro-3-oxooctanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2,2-difluoro-3-oxooctanoate
- DTXSID30455443
- 118460-49-4
- PNIQWEWMZJOWIO-UHFFFAOYSA-N
- Octanoic acid, 2,2-difluoro-3-oxo-, ethyl ester
-
- Inchi： 1S/C10H16F2O3/c1-3-5-6-7-8(13)10(11,12)9(14)15-4-2/h3-7H2,1-2H3
- InChI Key： PNIQWEWMZJOWIO-UHFFFAOYSA-N
- SMILES： FC(C(=O)OCC)(C(CCCCC)=O)F
Computed Properties
- Exact Mass: 222.10675069Da
- Monoisotopic Mass: 222.10675069Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 227
- 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
- Topological Polar Surface Area: 43.4?2
ethyl 2,2-difluoro-3-oxooctanoate Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
118460-49-4 (ethyl 2,2-difluoro-3-oxooctanoate) Related Products
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