(2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol

C32H22F12O4 — CID 162540226

IUPAC(2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol
SMILESO[C@H]([C@@H](O)C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H22F12O4/c33-29(34,35)21-9-1-17(2-10-21)27(47,18-3-11-22(12-4-18)30(36,37)38)25(45)26(46)28(48,19-5-13-23(14-6-19)31(39,40)41)20-7-15-24(16-8-20)32(42,43)44/h1-16,25-26,45-48H/t25-,26-/m1/s1
InChIKeyAUUAHKUEILHSON-CLJLJLNGSA-N
MW698.50 g/mol
LogP7.66
Rot. Bonds7

About (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol

(2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol (PubChem CID 162540226) has the molecular formula C32H22F12O4 and a molecular weight of 698.50 g/mol. Its IUPAC name is (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol
PubChem CID162540226
Molecular FormulaC32H22F12O4
Molecular Weight698.50 g/mol
Exact Mass698.13
IUPAC Name(2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol
SMILESO[C@H]([C@@H](O)C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H22F12O4/c33-29(34,35)21-9-1-17(2-10-21)27(47,18-3-11-22(12-4-18)30(36,37)38)25(45)26(46)28(48,19-5-13-23(14-6-19)31(39,40)41)20-7-15-24(16-8-20)32(42,43)44/h1-16,25-26,45-48H/t25-,26-/m1/s1
InChIKeyAUUAHKUEILHSON-CLJLJLNGSA-N
XLogP7.66
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.50
LogP ≤ 57.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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diphenyl-[4-(trifluoromethyl)phenyl]methanol
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CID 154390518
CID 154390518
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol (CID 162540226) is (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol is O[C@H]([C@@H](O)C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol?
The InChIKey is AUUAHKUEILHSON-CLJLJLNGSA-N. The full InChI is InChI=1S/C32H22F12O4/c33-29(34,35)21-9-1-17(2-10-21)27(47,18-3-11-22(12-4-18)30(36,37)38)25(45)26(46)28(48,19-5-13-23(14-6-19)31(39,40)41)20-7-15-24(16-8-20)32(42,43)44/h1-16,25-26,45-48H/t25-,26-/m1/s1.
What are the key properties of (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol?
(2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol has a molecular weight of 698.50 g/mol, XLogP of 7.66, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol is sourced from PubChem (CID 162540226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).