Cas no 81711-13-9 (Benzene, 1-fluoro-4-(4-hexylcyclohexyl)-, trans-)
81711-13-9 structure
Product Name:Benzene, 1-fluoro-4-(4-hexylcyclohexyl)-, trans-
CAS No:81711-13-9
MF:C18H27F
MW:262.405389070511
CID:703384
PubChem ID:578936
Update Time:2025-04-19
Benzene, 1-fluoro-4-(4-hexylcyclohexyl)-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-fluoro-4-(4-hexylcyclohexyl)-, trans-
- Benzene, 1-fluoro-4-(4-hexylcyclohexyl)-
- 81711-13-9
- DTXSID401260041
- 1-Fluoro-4-(4-hexylcyclohexyl)benzene #
- 1-Fluoro-4-(trans-4-hexylcyclohexyl)benzene
- SCHEMBL5347953
- LCQAFSNKNAGTOR-UHFFFAOYSA-N
- SCHEMBL4801477
-
- Inchi： 1S/C18H27F/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h11-16H,2-10H2,1H3
- InChI Key： LCQAFSNKNAGTOR-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C1CCC(CCCCCC)CC1
Computed Properties
- Exact Mass: 262.209679023g/mol
- Monoisotopic Mass: 262.209679023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 222
- 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: 7.5
- Topological Polar Surface Area: 0?2
Benzene, 1-fluoro-4-(4-hexylcyclohexyl)-, trans- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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