Cas no 10556-91-9 (Ethyl 2-(2,2,2-trifluoroacetyl)pentanoate)
10556-91-9 structure
Product Name:Ethyl 2-(2,2,2-trifluoroacetyl)pentanoate
CAS No:10556-91-9
MF:C9H13F3O3
MW:226.192933797836
CID:118692
PubChem ID:14272660
Update Time:2025-04-18
Ethyl 2-(2,2,2-trifluoroacetyl)pentanoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 2-(2,2,2-trifluoroacetyl)pentanoate
- 4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER
- Pentanoic acid,2-(2,2,2-trifluoroacetyl)-, ethyl ester
- Pentanoic acid,2-(trifluoroacetyl)-,ethyl ester
- propyl-2 trifluoroacetylacetate d'ethyle
- FT-0636737
- AKOS017343308
- ethyl 2-(trifluoroacetyl)pentanoate
- 10556-91-9
- DTXSID20558295
-
- Inchi： 1S/C9H13F3O3/c1-3-5-6(8(14)15-4-2)7(13)9(10,11)12/h6H,3-5H2,1-2H3
- InChI Key： GKTRFIBYCDBMGZ-UHFFFAOYSA-N
- SMILES： FC(C(C(C(=O)OCC)CCC)=O)(F)F
Computed Properties
- Exact Mass: 226.08200
- Monoisotopic Mass: 226.08167876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 235
- 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: 43.37000
- LogP: 2.09720
Ethyl 2-(2,2,2-trifluoroacetyl)pentanoate Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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