Cas no 183279-74-5 (2H-Pyran-2-one,tetrahydro-3-(trifluoroacetyl)-, (+)- (9CI))
183279-74-5 structure
Product Name:2H-Pyran-2-one,tetrahydro-3-(trifluoroacetyl)-, (+)- (9CI)
CAS No:183279-74-5
MF:C7H7F3O3
MW:196.123893022537
CID:114037
PubChem ID:45080913
Update Time:2025-04-18
2H-Pyran-2-one,tetrahydro-3-(trifluoroacetyl)-, (+)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one,tetrahydro-3-(trifluoroacetyl)-, (+)- (9CI)
- 2H-Pyran-2-one,tetrahydro-3-(trifluoroacetyl)-,(+)-(9ci)
- 2H-Pyran-2-one, tetrahydro-3-(trifluoroacetyl)-, (+)- (9CI)
- A-trifluoroacetyl-d-valerolactone
- 606491-90-1
- DTXSID30664194
- 3-(Trifluoroacetyl)oxan-2-one
- 183279-74-5
- WPNCIRAHNUHKLE-UHFFFAOYSA-N
- AKOS006287568
- MFCD07779725
- 3-(2,2,2-Trifluoroacetyl)tetrahydro-2H-pyran-2-one
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- Inchi: 1S/C7H7F3O3/c8-7(9,10)5(11)4-2-1-3-13-6(4)12/h4H,1-3H2
- InChI Key: WPNCIRAHNUHKLE-UHFFFAOYSA-N
- SMILES: FC(C(C1C(=O)OCCC1)=O)(F)F
Computed Properties
- Exact Mass: 196.03471
- Monoisotopic Mass: 196.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 234
- 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
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 1.6
Experimental Properties
- PSA: 43.37
2H-Pyran-2-one,tetrahydro-3-(trifluoroacetyl)-, (+)- (9CI) Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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