2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene

C21H18F6 — CID 101119127

IUPAC2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene
SMILESFc1c2c(F)c3c(F)c1CCCc1c(F)c(c(F)c(c1F)CCC3)CCC2
InChIInChI=1S/C21H18F6/c22-16-10-4-1-5-11-17(23)13-7-2-6-12(16)20(26)14(18(10)24)8-3-9-15(19(11)25)21(13)27/h1-9H2
InChIKeyCZZQDDXXPPLKLA-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.67
Rot. Bonds

About 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene

2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene (PubChem CID 101119127) has the molecular formula C21H18F6 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene.

Molecular Properties

Compound Name2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene
PubChem CID101119127
Molecular FormulaC21H18F6
Molecular Weight384.36 g/mol
Exact Mass384.13
IUPAC Name2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene
SMILESFc1c2c(F)c3c(F)c1CCCc1c(F)c(c(F)c(c1F)CCC3)CCC2
InChIInChI=1S/C21H18F6/c22-16-10-4-1-5-11-17(23)13-7-2-6-12(16)20(26)14(18(10)24)8-3-9-15(19(11)25)21(13)27/h1-9H2
InChIKeyCZZQDDXXPPLKLA-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene?
The IUPAC name of 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene (CID 101119127) is 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene.
What is the SMILES notation for 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene?
The canonical SMILES for 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene is Fc1c2c(F)c3c(F)c1CCCc1c(F)c(c(F)c(c1F)CCC3)CCC2.
What is the InChIKey of 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene?
The InChIKey is CZZQDDXXPPLKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6/c22-16-10-4-1-5-11-17(23)13-7-2-6-12(16)20(26)14(18(10)24)8-3-9-15(19(11)25)21(13)27/h1-9H2.
What are the key properties of 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene?
2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene has a molecular weight of 384.36 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,10,16,20,21-hexafluorotetracyclo[7.7.3.13,15.17,11]henicosa-1(16),2,7,9,11(21),15(20)-hexaene is sourced from PubChem (CID 101119127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).