4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one
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![4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1dd4c90da68141f7877fe25a4bcffb60.png "4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one")
4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one
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CAS No:
101247-78-3
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Formula:
C16H12F12O4
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Chemical Name:
4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one
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Synonyms:
101247-78-3;NSC172852;DTXSID30906021;NSC-172852;Butyrophenone, 4'-(1,3-dihydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyl)-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-;4'-[1,3-Dihydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyl]-beta-hydroxy-gamma,gamma,gamma-trifluoro-beta-(trifluoromethyl)butyrophenone;4,4,4-Trifluoro-3-hydroxy-1-{4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl}-3-(trifluoromethyl)butan-1-one
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CAS No:
4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one Basic Attributes
496.24 g/mol
496.0543968 g/mol
172852
Computed Properties
Molecular Weight:496.24
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:6
Exact Mass:496.0543968
Monoisotopic Mass:496.0543968
Topological Polar Surface Area:77.8
Heavy Atom Count:32
Complexity:628
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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