Cas no 71825-34-8 (1,6-Hexanedione, 1,6-bis(4-fluorophenyl)-)
71825-34-8 structure
Product Name:1,6-Hexanedione, 1,6-bis(4-fluorophenyl)-
CAS No:71825-34-8
MF:C18H16F2O2
MW:302.315252304077
CID:545018
PubChem ID:12547496
Update Time:2025-04-19
1,6-Hexanedione, 1,6-bis(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Hexanedione, 1,6-bis(4-fluorophenyl)-
- 1,6-bis(4-fluorophenyl)hexane-1,6-dione
- DTXSID00502115
- 1,4-bis(4-fluorobenzoyl) butane
- 71825-34-8
- DYKMRYGBFNIUPA-UHFFFAOYSA-N
- SCHEMBL9680520
-
- Inchi： 1S/C18H16F2O2/c19-15-9-5-13(6-10-15)17(21)3-1-2-4-18(22)14-7-11-16(20)12-8-14/h5-12H,1-4H2
- InChI Key： DYKMRYGBFNIUPA-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C(CCCCC(C1C=CC(=CC=1)F)=O)=O
Computed Properties
- Exact Mass: 302.11188
- Monoisotopic Mass: 302.11183607g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 331
- 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: 3.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,6-Hexanedione, 1,6-bis(4-fluorophenyl)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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