699-39-8 (1,3-环戊二烯，1,2,3,4,5,5-六氟-,1,3-Cyclopentadiene, 1,2,3,4,5,5-hexafluoro-)

快速询单

结构式：

1,3-环戊二烯，1,2,3,4,5,5-六氟-MOL文件

CAS号：

699-39-8

中文名称：

1,3-环戊二烯，1,2,3,4,5,5-六氟-

英文名称：

1,3-Cyclopentadiene, 1,2,3,4,5,5-hexafluoro-

分子式：

C₅F₆

分子量：

174.043922424316

1,3-环戊二烯，1,2,3,4,5,5-六氟-(699-39-8)名称与标识符

名称

英文别名：

1,3-Cyclopentadiene, 1,2,3,4,5,5-hexafluoro-;1,2,3,4,5,5-Hexafluoro-1,3-cyclopentadiene;1,2,3,4,5,5-hexafluorocyclopenta-1,3-diene;DTXSID70342262;Hexafluorocyclopentadiene;699-39-8;1,2,3,4,5,5-Hexafluoro-1,3-cyclopentadiene #;Perfluorocyclopentadiene;

标识符

InChIKey：

BDTKCOREDQRWGK-UHFFFAOYSA-N

Inchi：

1S/C5F6/c6-1-2(7)4(9)5(10,11)3(1)8

SMILES：

FC1(C(=C(C(=C1F)F)F)F)F

1,3-环戊二烯，1,2,3,4,5,5-六氟-(699-39-8)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 173.9904
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 0
同位素质量 : 173.99041897g/mol
重原子数量 : 11
复杂度 : 234
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.3
拓扑分子极性表面积 : 0Å²

1,3-环戊二烯，1,2,3,4,5,5-六氟-(699-39-8)相关文献

1. Binuclear hexafluorocyclopentadiene iron carbonyls: bis(dihapto) versus trihapto–monohapto bonding in iron–iron bonded structures
Jianming Deng,Qian-shu Li,Yaoming Xie,R. Bruce King,H. F. Schaefer,III New J. Chem. 2013 37 2902
2. Polyfluorocyclopentadienes. Part VI. Synthesis of 1- and 5-chloropentafluorocyclopentadiene
R. E. Banks,M. Bridge,R. N. Haszeldine,D. W. Roberts,N. I. Tucker J. Chem. Soc. C 1970 2531
3. Nuclear magnetic resonance spectra of the dimers of hexafluoro- and 2,3,3,4,5-pentafluoro-cyclopentadiene: long-range 19F–19F couplings
R. Fields,M. Green,A. Jones J. Chem. Soc. B 1967 270
4. Notes
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5. Synthesis of difluoroaryldioxoles using BrF3
Youlia Hagooly,Michael J. Welch,Shlomo Rozen Org. Biomol. Chem. 2011 9 902
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R. J. Heitzman,C. R. Patrick,R. Stephens,J. C. Tatlow J. Chem. Soc. 1963 281
7. Journal: index of subjects, 1965
J. Chem. Soc. 1965 7571
8. Perfluoro-2,5-diazahexane-2,5-dioxyl and its use in polymer chemistry and in polymer cross-linking
R. E. Banks,K. C. Eapen,R. N. Haszeldine,P. Mitra,T. Myerscough,S. Smith J. Chem. Soc. Chem. Commun. 1972 833
9. Photochemical isomerisation derivatives of decafluorocyclohexene and their reactions
G. Camaggi,F. Gozzo J. Chem. Soc. C 1971 925
10. Metal carbonyl chemistry. Part VIII. Reaction of hydridopentacarbonylmanganese(I) with perfluorocyclopentadiene
R. Fields,M. Green,Tom Harrison,R. N. Haszeldine,Alan Jones,A. B. P. Lever J. Chem. Soc. A 1970 49