6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene

C18F8N8 — CID 58084874

IUPAC6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
SMILESFc1nc2nc3c4nc5nc(F)c(F)nc5nc4c4c(F)c(F)c(F)c(F)c4c3nc2nc1F
InChIInChI=1S/C18F8N8/c19-3-1-2(4(20)6(22)5(3)21)8-10(30-18-16(28-8)32-12(24)14(26)34-18)9-7(1)27-15-17(29-9)33-13(25)11(23)31-15
InChIKeyBWPYZMNEWZRATK-UHFFFAOYSA-N
MW480.24 g/mol
LogP3.73
Rot. Bonds

About 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene

6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene (PubChem CID 58084874) has the molecular formula C18F8N8 and a molecular weight of 480.24 g/mol. Its IUPAC name is 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene.

Molecular Properties

Compound Name6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
PubChem CID58084874
Molecular FormulaC18F8N8
Molecular Weight480.24 g/mol
Exact Mass480.01
IUPAC Name6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
SMILESFc1nc2nc3c4nc5nc(F)c(F)nc5nc4c4c(F)c(F)c(F)c(F)c4c3nc2nc1F
InChIInChI=1S/C18F8N8/c19-3-1-2(4(20)6(22)5(3)21)8-10(30-18-16(28-8)32-12(24)14(26)34-18)9-7(1)27-15-17(29-9)33-13(25)11(23)31-15
InChIKeyBWPYZMNEWZRATK-UHFFFAOYSA-N
XLogP3.73
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The IUPAC name of 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene (CID 58084874) is 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene.
What is the SMILES notation for 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The canonical SMILES for 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene is Fc1nc2nc3c4nc5nc(F)c(F)nc5nc4c4c(F)c(F)c(F)c(F)c4c3nc2nc1F.
What is the InChIKey of 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The InChIKey is BWPYZMNEWZRATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F8N8/c19-3-1-2(4(20)6(22)5(3)21)8-10(30-18-16(28-8)32-12(24)14(26)34-18)9-7(1)27-15-17(29-9)33-13(25)11(23)31-15.
What are the key properties of 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene has a molecular weight of 480.24 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,13,14,15,16,22,23-octafluoro-3,5,8,10,19,21,24,26-octazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene is sourced from PubChem (CID 58084874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).