Cas no 118460-46-1 (Cyclohexanepropanoicacid, a-fluoro-b-oxo-, ethyl ester)
118460-46-1 structure
Product Name:Cyclohexanepropanoicacid, a-fluoro-b-oxo-, ethyl ester
CAS No:118460-46-1
MF:C11H17FO3
MW:216.249287366867
CID:131854
PubChem ID:10488900
Update Time:2025-04-19
Cyclohexanepropanoicacid, a-fluoro-b-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanoicacid, a-fluoro-b-oxo-, ethyl ester
- Cyclohexanepropanoic acid, alpha-fluoro-beta-oxo-, ethyl ester (9CI)
- ethyl 3-cyclohexyl-2-fluoro-3-oxopropanoate
- 118460-46-1
- ALPHA-FLUORO-BETA-OXO-CYCLOHEXANEPROPANOIC ACID ETHYL ESTER
- DTXSID30440758
- Cyclohexanepropanoic acid,alpha-fluoro-beta-oxo-,ethyl ester(9ci)
-
- Inchi： 1S/C11H17FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
- InChI Key： NATMEFKNQCUZCZ-UHFFFAOYSA-N
- SMILES： FC(C(=O)OCC)C(C1CCCCC1)=O
Computed Properties
- Exact Mass: 216.11621
- Monoisotopic Mass: 216.11617256g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 234
- 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: 2.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Cyclohexanepropanoicacid, a-fluoro-b-oxo-, ethyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
118460-46-1 (Cyclohexanepropanoicacid, a-fluoro-b-oxo-, ethyl ester) Related Products
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