Cas no 174485-37-1 (1-(4-Fluorophenyl)hexan-3-one)
1-(4-Fluorophenyl)hexan-3-one structure
Product Name:1-(4-Fluorophenyl)hexan-3-one
CAS No:174485-37-1
MF:C12H15FO
MW:194.245307207108
CID:111719
PubChem ID:22113997
Update Time:2025-04-18
1-(4-Fluorophenyl)hexan-3-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-Fluorophenyl)hexan-3-one
- 3-Hexanone,1-(4-fluorophenyl)-
- 1-(4-Fluorophenyl)-3-hexanone
- 1-(4-fluorophenyl)-hexan-3-one
- 3-Hexanone,1-(4-fluorophenyl)
- 1-(4-FLUORO-PHENYL)-HEXAN-3-ONE
- DTXSID40622523
- SCHEMBL6957846
- 174485-37-1
- FT-0690674
-
- Inchi: 1S/C12H15FO/c1-2-3-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8H,2-3,6,9H2,1H3
- InChI Key: RVBBTVUGQWQEEW-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)CCC(CCC)=O
Computed Properties
- Exact Mass: 194.11100
- Monoisotopic Mass: 194.110693260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 3.12750
1-(4-Fluorophenyl)hexan-3-one 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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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