Cas no 6804-37-1 ( )
structure
Product Name:
CAS No:6804-37-1
MF:C18F14O2
MW:514.169054031372
CID:869464
PubChem ID:45075726
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene
- 1,4-BIS(PENTAFLUOROPHENOXY)TETRAFLUOROBENZENE
- benzene, <wbr>
- LogP
- DTXSID50663109
- Perfluoro(1,4-diphenoxybenzene)
- 1,1'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)bis(oxy)]bis(pentafluorobenzene)
- SCHEMBL2001423
- 6804-37-1
-
-
- Inchi： 1S/C18F14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28
- InChI Key： QUYRBEDFNGXEQH-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=C(C=1OC1C(=C(C(=C(C=1F)F)F)F)F)F)F)OC1C(=C(C(=C(C=1F)F)F)F)F)F
Computed Properties
- Exact Mass: 513.9674
- Monoisotopic Mass: 513.9674735g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 34
- Rotatable Bond Count: 4
- Complexity: 589
- 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: 6.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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