6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene

C26H8F8 — CID 58411106

IUPAC6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
SMILESFc1c(F)c(F)c2c(ccc3c4ccc5c(ccc6c(F)c(F)c(F)c(F)c65)c4ccc32)c1F
InChIInChI=1S/C26H8F8/c27-19-15-8-4-12-10-2-6-14-11(3-7-16-18(14)22(30)26(34)24(32)20(16)28)9(10)1-5-13(12)17(15)21(29)25(33)23(19)31/h1-8H
InChIKeyMVWVZIKPXGLRLA-UHFFFAOYSA-N
MW472.33 g/mol
LogP8.57
Rot. Bonds

About 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene

6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene (PubChem CID 58411106) has the molecular formula C26H8F8 and a molecular weight of 472.33 g/mol. Its IUPAC name is 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene.

Molecular Properties

Compound Name6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
PubChem CID58411106
Molecular FormulaC26H8F8
Molecular Weight472.33 g/mol
Exact Mass472.05
IUPAC Name6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
SMILESFc1c(F)c(F)c2c(ccc3c4ccc5c(ccc6c(F)c(F)c(F)c(F)c65)c4ccc32)c1F
InChIInChI=1S/C26H8F8/c27-19-15-8-4-12-10-2-6-14-11(3-7-16-18(14)22(30)26(34)24(32)20(16)28)9(10)1-5-13(12)17(15)21(29)25(33)23(19)31/h1-8H
InChIKeyMVWVZIKPXGLRLA-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.33
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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_3', 'substructure': 'N/A'}

Analyze 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
The IUPAC name of 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene (CID 58411106) is 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene.
What is the SMILES notation for 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
The canonical SMILES for 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene is Fc1c(F)c(F)c2c(ccc3c4ccc5c(ccc6c(F)c(F)c(F)c(F)c65)c4ccc32)c1F.
What is the InChIKey of 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
The InChIKey is MVWVZIKPXGLRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H8F8/c27-19-15-8-4-12-10-2-6-14-11(3-7-16-18(14)22(30)26(34)24(32)20(16)28)9(10)1-5-13(12)17(15)21(29)25(33)23(19)31/h1-8H.
What are the key properties of 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene has a molecular weight of 472.33 g/mol, XLogP of 8.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9,19,20,21,22-octafluorohexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene is sourced from PubChem (CID 58411106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).