1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol

C26H18F4O2 — CID 15263471

IUPAC1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H18F4O2/c27-21-9-1-17(2-10-21)25(31,18-3-11-22(28)12-4-18)26(32,19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,31-32H
InChIKeyWCLDEYLDJTVXII-UHFFFAOYSA-N
MW438.42 g/mol
LogP5.41
Rot. Bonds5

About 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol

1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol (PubChem CID 15263471) has the molecular formula C26H18F4O2 and a molecular weight of 438.42 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol
PubChem CID15263471
Molecular FormulaC26H18F4O2
Molecular Weight438.42 g/mol
Exact Mass438.12
IUPAC Name1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H18F4O2/c27-21-9-1-17(2-10-21)25(31,18-3-11-22(28)12-4-18)26(32,19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,31-32H
InChIKeyWCLDEYLDJTVXII-UHFFFAOYSA-N
XLogP5.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.42
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol?
The IUPAC name of 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol (CID 15263471) is 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol?
The canonical SMILES for 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol?
The InChIKey is WCLDEYLDJTVXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4O2/c27-21-9-1-17(2-10-21)25(31,18-3-11-22(28)12-4-18)26(32,19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,31-32H.
What are the key properties of 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol?
1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol has a molecular weight of 438.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrakis(4-fluorophenyl)ethane-1,2-diol is sourced from PubChem (CID 15263471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).