7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C14H2F4N8 — CID 58084892

IUPAC7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESFc1nc2nc3cc4nc5nc(F)c(F)nc5nc4cc3nc2nc1F
InChIInChI=1S/C14H2F4N8/c15-7-9(17)25-13-11(23-7)19-3-1-4-6(2-5(3)21-13)22-14-12(20-4)24-8(16)10(18)26-14/h1-2H
InChIKeyPBGCYRUKYQZXJO-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.02
Rot. Bonds

About 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 58084892) has the molecular formula C14H2F4N8 and a molecular weight of 358.22 g/mol. Its IUPAC name is 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID58084892
Molecular FormulaC14H2F4N8
Molecular Weight358.22 g/mol
Exact Mass358.03
IUPAC Name7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESFc1nc2nc3cc4nc5nc(F)c(F)nc5nc4cc3nc2nc1F
InChIInChI=1S/C14H2F4N8/c15-7-9(17)25-13-11(23-7)19-3-1-4-6(2-5(3)21-13)22-14-12(20-4)24-8(16)10(18)26-14/h1-2H
InChIKeyPBGCYRUKYQZXJO-UHFFFAOYSA-N
XLogP2.02
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 58084892) is 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is Fc1nc2nc3cc4nc5nc(F)c(F)nc5nc4cc3nc2nc1F.
What is the InChIKey of 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is PBGCYRUKYQZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F4N8/c15-7-9(17)25-13-11(23-7)19-3-1-4-6(2-5(3)21-13)22-14-12(20-4)24-8(16)10(18)26-14/h1-2H.
What are the key properties of 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 358.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,18,19-tetrafluoro-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 58084892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).