(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

C20F36O6 — CID 14892283

IUPAC(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESFC1(F)OC(F)(F)C(F)(F)O[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)O[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)OC1(F)F
InChIInChI=1S/C20F36O6/c21-1(22)2(23,24)6(31,32)10(38)9(37,5(1,29)30)57-13(41,42)17(49,50)61-19(53,54)15(45,46)59-11(39)7(33,34)3(25,26)4(27,28)8(35,36)12(11,40)60-16(47,48)20(55,56)62-18(51,52)14(43,44)58-10/t9-,10+,11-,12+
InChIKeyGBWOFJYEMWVTQM-BKUVIOGVSA-N
MW1020.14 g/mol
LogP10.61
Rot. Bonds

About (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (PubChem CID 14892283) has the molecular formula C20F36O6 and a molecular weight of 1020.14 g/mol. Its IUPAC name is (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.

Molecular Properties

Compound Name(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
PubChem CID14892283
Molecular FormulaC20F36O6
Molecular Weight1020.14 g/mol
Exact Mass1019.91
IUPAC Name(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESFC1(F)OC(F)(F)C(F)(F)O[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)O[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)OC1(F)F
InChIInChI=1S/C20F36O6/c21-1(22)2(23,24)6(31,32)10(38)9(37,5(1,29)30)57-13(41,42)17(49,50)61-19(53,54)15(45,46)59-11(39)7(33,34)3(25,26)4(27,28)8(35,36)12(11,40)60-16(47,48)20(55,56)62-18(51,52)14(43,44)58-10/t9-,10+,11-,12+
InChIKeyGBWOFJYEMWVTQM-BKUVIOGVSA-N
XLogP10.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.14
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The IUPAC name of (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (CID 14892283) is (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.
What is the SMILES notation for (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The canonical SMILES for (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is FC1(F)OC(F)(F)C(F)(F)O[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)O[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)OC1(F)F.
What is the InChIKey of (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The InChIKey is GBWOFJYEMWVTQM-BKUVIOGVSA-N. The full InChI is InChI=1S/C20F36O6/c21-1(22)2(23,24)6(31,32)10(38)9(37,5(1,29)30)57-13(41,42)17(49,50)61-19(53,54)15(45,46)59-11(39)7(33,34)3(25,26)4(27,28)8(35,36)12(11,40)60-16(47,48)20(55,56)62-18(51,52)14(43,44)58-10/t9-,10+,11-,12+.
What are the key properties of (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane has a molecular weight of 1020.14 g/mol, XLogP of 10.61, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is sourced from PubChem (CID 14892283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).