Cas no 6222-01-1 (Acetic acid, trifluoro-, cyclododecyl ester)
6222-01-1 structure
Product Name:Acetic acid, trifluoro-, cyclododecyl ester
CAS No:6222-01-1
MF:C14H23F3O2
MW:280.32643532753
CID:453947
PubChem ID:526008
Update Time:2025-04-19
Acetic acid, trifluoro-, cyclododecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, trifluoro-, cyclododecyl ester
- DTXSID40335560
- 6222-01-1
- ZZQDHMBQHCVNRA-UHFFFAOYSA-N
- Cyclododecanol, TFA
-
- Inchi： 1S/C14H23F3O2/c15-14(16,17)13(18)19-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2
- InChI Key： ZZQDHMBQHCVNRA-UHFFFAOYSA-N
- SMILES： FC(C(=O)OC1CCCCCCCCCCC1)(F)F
Computed Properties
- Exact Mass: 280.16509
- Monoisotopic Mass: 280.16501446g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 252
- 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: 6.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Acetic acid, trifluoro-, cyclododecyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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