6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne

C24H6F6 — CID 15832356

IUPAC6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne
SMILESFc1cc2c(cc1F)C#Cc1cc(F)c(F)cc1C#Cc1cc(F)c(F)cc1C#C2
InChIInChI=1S/C24H6F6/c25-19-7-13-1-2-14-8-20(26)22(28)10-16(14)5-6-18-12-24(30)23(29)11-17(18)4-3-15(13)9-21(19)27/h7-12H
InChIKeyILZIQNGCYCVUML-UHFFFAOYSA-N
MW408.30 g/mol
LogP5.03
Rot. Bonds

About 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne

6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne (PubChem CID 15832356) has the molecular formula C24H6F6 and a molecular weight of 408.30 g/mol. Its IUPAC name is 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne.

Molecular Properties

Compound Name6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne
PubChem CID15832356
Molecular FormulaC24H6F6
Molecular Weight408.30 g/mol
Exact Mass408.04
IUPAC Name6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne
SMILESFc1cc2c(cc1F)C#Cc1cc(F)c(F)cc1C#Cc1cc(F)c(F)cc1C#C2
InChIInChI=1S/C24H6F6/c25-19-7-13-1-2-14-8-20(26)22(28)10-16(14)5-6-18-12-24(30)23(29)11-17(18)4-3-15(13)9-21(19)27/h7-12H
InChIKeyILZIQNGCYCVUML-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne?
The IUPAC name of 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne (CID 15832356) is 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne.
What is the SMILES notation for 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne?
The canonical SMILES for 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne is Fc1cc2c(cc1F)C#Cc1cc(F)c(F)cc1C#Cc1cc(F)c(F)cc1C#C2.
What is the InChIKey of 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne?
The InChIKey is ILZIQNGCYCVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H6F6/c25-19-7-13-1-2-14-8-20(26)22(28)10-16(14)5-6-18-12-24(30)23(29)11-17(18)4-3-15(13)9-21(19)27/h7-12H.
What are the key properties of 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne?
6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne has a molecular weight of 408.30 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,14,15,22,23-hexafluorotetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne is sourced from PubChem (CID 15832356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).