Cas no 166331-85-7 (Cyclohexanecarboxylicacid, fluoromethyl ester)
166331-85-7 structure
Product Name:Cyclohexanecarboxylicacid, fluoromethyl ester
CAS No:166331-85-7
MF:C8H13FO2
MW:160.186026334763
CID:110752
PubChem ID:11051946
Update Time:2025-04-18
Cyclohexanecarboxylicacid, fluoromethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, fluoromethyl ester
- fluoromethyl cyclohexanecarboxylate
- Cyclohexanecarboxylic acid, fluoromethyl ester (9CI)
- DTXSID40453354
- 166331-85-7
- SCHEMBL13080625
-
- Inchi： 1S/C8H13FO2/c9-6-11-8(10)7-4-2-1-3-5-7/h7H,1-6H2
- InChI Key： KRRGGFSEWBVTRE-UHFFFAOYSA-N
- SMILES： FCOC(C1CCCCC1)=O
Computed Properties
- Exact Mass: 160.08999
- Monoisotopic Mass: 160.08995782g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 130
- 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: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Cyclohexanecarboxylicacid, fluoromethyl ester Related Literature
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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