7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone

C28H12F4O8 — CID 102202796

IUPAC7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
SMILESO=C1Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc21
InChIInChI=1S/C28H12F4O8/c29-13-1-5-17-21(9-13)37-26(34)19-7-3-15(31)11-23(19)39-28(36)20-8-4-16(32)12-24(20)40-27(35)18-6-2-14(30)10-22(18)38-25(17)33/h1-12H
InChIKeyVKNKSQUCBALYAP-UHFFFAOYSA-N
MW552.39 g/mol
LogP5.43
Rot. Bonds

About 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone

7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone (PubChem CID 102202796) has the molecular formula C28H12F4O8 and a molecular weight of 552.39 g/mol. Its IUPAC name is 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone.

Molecular Properties

Compound Name7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
PubChem CID102202796
Molecular FormulaC28H12F4O8
Molecular Weight552.39 g/mol
Exact Mass552.05
IUPAC Name7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
SMILESO=C1Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc21
InChIInChI=1S/C28H12F4O8/c29-13-1-5-17-21(9-13)37-26(34)19-7-3-15(31)11-23(19)39-28(36)20-8-4-16(32)12-24(20)40-27(35)18-6-2-14(30)10-22(18)38-25(17)33/h1-12H
InChIKeyVKNKSQUCBALYAP-UHFFFAOYSA-N
XLogP5.43
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone?
The IUPAC name of 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone (CID 102202796) is 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone.
What is the SMILES notation for 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone?
The canonical SMILES for 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone is O=C1Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc2C(=O)Oc2cc(F)ccc21.
What is the InChIKey of 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone?
The InChIKey is VKNKSQUCBALYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12F4O8/c29-13-1-5-17-21(9-13)37-26(34)19-7-3-15(31)11-23(19)39-28(36)20-8-4-16(32)12-24(20)40-27(35)18-6-2-14(30)10-22(18)38-25(17)33/h1-12H.
What are the key properties of 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone?
7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone has a molecular weight of 552.39 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone is sourced from PubChem (CID 102202796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).