Cas no 819792-77-3 (2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]-)
![2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/820000/819792-77-3x500.png)
819792-77-3 structure
Product Name:2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]-
CAS No:819792-77-3
MF:C19H8F12O
MW:480.247067451477
CID:702439
PubChem ID:71420727
Update Time:2025-04-19
2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]-
- 1,3-bis[3,5-bis(trifluoromethyl)phenyl]prop-2-en-1-one
- DTXSID20839910
- 819792-77-3
-
- Inchi： 1S/C19H8F12O/c20-16(21,22)11-3-9(4-12(7-11)17(23,24)25)1-2-15(32)10-5-13(18(26,27)28)8-14(6-10)19(29,30)31/h1-8H
- InChI Key： IXFDIRODFSZSOY-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(F)(F)F)C=C(C(C=CC2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)=O)C=1)(F)F
Computed Properties
- Exact Mass: 480.0383528g/mol
- Monoisotopic Mass: 480.0383528g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 32
- Rotatable Bond Count: 3
- Complexity: 640
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 7.2
- Topological Polar Surface Area: 17.1?2
2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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