Cas no 105935-18-0 (2-Propenoic acid, 2-(trifluoromethyl)-, propyl ester)
105935-18-0 structure
Product Name:2-Propenoic acid, 2-(trifluoromethyl)-, propyl ester
CAS No:105935-18-0
MF:C7H9F3O2
MW:182.140372991562
CID:1163636
PubChem ID:20234448
Update Time:2025-04-20
2-Propenoic acid, 2-(trifluoromethyl)-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-(trifluoromethyl)-, propyl ester
- propyl 2-(trifluoromethyl)prop-2-enoate
- DTXSID00603934
- SCHEMBL303392
- OTPPJRROTZEJEB-UHFFFAOYSA-N
- 105935-18-0
-
- Inchi： 1S/C7H9F3O2/c1-3-4-12-6(11)5(2)7(8,9)10/h2-4H2,1H3
- InChI Key： OTPPJRROTZEJEB-UHFFFAOYSA-N
- SMILES： FC(C(=C)C(=O)OCCC)(F)F
Computed Properties
- Exact Mass: 182.05547
- Monoisotopic Mass: 182.05546401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 184
- 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: 2.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid, 2-(trifluoromethyl)-, propyl ester Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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