Cas no 769175-03-3 (2-Propenoic acid, 2-(trifluoromethyl)-, pentyl ester)
769175-03-3 structure
Product Name:2-Propenoic acid, 2-(trifluoromethyl)-, pentyl ester
CAS No:769175-03-3
MF:C9H13F3O2
MW:210.193533658981
CID:1782520
PubChem ID:59858134
Update Time:2025-04-21
2-Propenoic acid, 2-(trifluoromethyl)-, pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-(trifluoromethyl)-, pentyl ester
- pentyl 2-(trifluoromethyl)prop-2-enoate
- 769175-03-3
- SCHEMBL4651717
- DTXSID80733243
- FOZLRKYILAAXCQ-UHFFFAOYSA-N
-
- Inchi： 1S/C9H13F3O2/c1-3-4-5-6-14-8(13)7(2)9(10,11)12/h2-6H2,1H3
- InChI Key： FOZLRKYILAAXCQ-UHFFFAOYSA-N
- SMILES： FC(C(=C)C(=O)OCCCCC)(F)F
Computed Properties
- Exact Mass: 210.08676414g/mol
- Monoisotopic Mass: 210.08676414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 209
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
2-Propenoic acid, 2-(trifluoromethyl)-, pentyl ester Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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