10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene

C18H16F12O6 — CID 163615326

IUPAC10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene
SMILESFC1(F)C2=C(OCCOCCOC3=C(OCCOCCO2)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C18H16F12O6/c19-13(20)9-10(14(21,22)17(13,27)28)35-7-3-32-4-8-36-12-11(34-6-2-31-1-5-33-9)15(23,24)18(29,30)16(12,25)26/h1-8H2
InChIKeyHJLSMSKAEMETCG-UHFFFAOYSA-N
MW556.30 g/mol
LogP4.36
Rot. Bonds

About 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene

10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene (PubChem CID 163615326) has the molecular formula C18H16F12O6 and a molecular weight of 556.30 g/mol. Its IUPAC name is 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene.

Molecular Properties

Compound Name10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene
PubChem CID163615326
Molecular FormulaC18H16F12O6
Molecular Weight556.30 g/mol
Exact Mass556.08
IUPAC Name10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene
SMILESFC1(F)C2=C(OCCOCCOC3=C(OCCOCCO2)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C18H16F12O6/c19-13(20)9-10(14(21,22)17(13,27)28)35-7-3-32-4-8-36-12-11(34-6-2-31-1-5-33-9)15(23,24)18(29,30)16(12,25)26/h1-8H2
InChIKeyHJLSMSKAEMETCG-UHFFFAOYSA-N
XLogP4.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene with MolForge

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Related Compounds

1,2-Bis-(2,3,3,4,4,5,5-heptafluorocyclopent-1-enyloxy)ethane
CID 121234684
3,3,4,4,5,5-Hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene
CID 176591311
1,3,3,4,4,5,5-Heptafluoro-2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]cyclopentene
CID 176591314
1,3,3,4,4,5,5-Heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene
CID 176591315
1,3,3,4,4,5,5-Heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene
CID 176591321
1,3,3,4,4,5,5-Heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene
CID 176591323
1,3,3,4,4,5,5-Heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene
CID 176591327
5-[3,3,4,4,5,5-Hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol
CID 176591328
2-[3,3,4,4,5,5-Hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol
CID 176591330
1,3,3,4,4,5,5-Heptafluoro-2-[2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]cyclopentene
CID 176591332
2-[2-[2-[3,3,4,4,5,5-Hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol
CID 176591335
1-Butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene
CID 176591337

Frequently Asked Questions

What is the IUPAC name of 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene?
The IUPAC name of 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene (CID 163615326) is 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene.
What is the SMILES notation for 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene?
The canonical SMILES for 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene is FC1(F)C2=C(OCCOCCOC3=C(OCCOCCO2)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene?
The InChIKey is HJLSMSKAEMETCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F12O6/c19-13(20)9-10(14(21,22)17(13,27)28)35-7-3-32-4-8-36-12-11(34-6-2-31-1-5-33-9)15(23,24)18(29,30)16(12,25)26/h1-8H2.
What are the key properties of 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene?
10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene has a molecular weight of 556.30 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,11,11,12,12,22,22,23,23,24,24-dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene is sourced from PubChem (CID 163615326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).