4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol
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![4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/34b7a01ad44543b2bcc4a01f3a41f498.png "4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol")
4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol
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CAS No:
100991-88-6
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Formula:
C16H14F12O4
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Chemical Name:
4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol
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Synonyms:
1,1'-(p-Phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-1,3-butanediol); p-Bis(4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl)benzene; 1,3-BUTANEDIOL,1,1'-(p-PHENYLENE)BIS(4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL); 1,1'-benzene-1,4-diylbis[4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diol];
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CAS No:
4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol Basic Attributes
498.26100
498.0700469 g/mol
664537
Computed Properties
Molecular Weight:498.26
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:6
Exact Mass:498.0700469
Monoisotopic Mass:498.0700469
Topological Polar Surface Area:80.9
Heavy Atom Count:32
Complexity:535
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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