Cas no 183279-72-3 (2H-Pyran-2-one,3-(difluoroacetyl)tetrahydro-, (+)- (9CI))
183279-72-3 structure
Product Name:2H-Pyran-2-one,3-(difluoroacetyl)tetrahydro-, (+)- (9CI)
CAS No:183279-72-3
MF:C7H8F2O3
MW:178.133429527283
CID:114036
PubChem ID:45080781
Update Time:2025-04-18
2H-Pyran-2-one,3-(difluoroacetyl)tetrahydro-, (+)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one,3-(difluoroacetyl)tetrahydro-, (+)- (9CI)
- (+)-3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one
- 3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one
- 606491-81-0
- 183279-72-3
-
- Inchi： 1S/C7H8F2O3/c8-6(9)5(10)4-2-1-3-12-7(4)11/h4,6H,1-3H2
- InChI Key： TYCSIVAPYYPNOW-UHFFFAOYSA-N
- SMILES： FC(C(C1C(=O)OCCC1)=O)F
Computed Properties
- Exact Mass: 178.04414
- Monoisotopic Mass: 178.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 1.3
Experimental Properties
- PSA: 43.37
2H-Pyran-2-one,3-(difluoroacetyl)tetrahydro-, (+)- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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