1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene

C16F26 — CID 19806861

IUPAC1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESFC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C16F26/c17-3-1(5(19,20)11(31,32)9(3,27)28)7(23,24)13(35,36)15(39,40)16(41,42)14(37,38)8(25,26)2-4(18)10(29,30)12(33,34)6(2,21)22
InChIKeyAUARWAHMIARVDQ-UHFFFAOYSA-N
MW686.12 g/mol
LogP9.08
Rot. Bonds7

About 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene

1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene (PubChem CID 19806861) has the molecular formula C16F26 and a molecular weight of 686.12 g/mol. Its IUPAC name is 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene.

Molecular Properties

Compound Name1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene
PubChem CID19806861
Molecular FormulaC16F26
Molecular Weight686.12 g/mol
Exact Mass685.96
IUPAC Name1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESFC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C16F26/c17-3-1(5(19,20)11(31,32)9(3,27)28)7(23,24)13(35,36)15(39,40)16(41,42)14(37,38)8(25,26)2-4(18)10(29,30)12(33,34)6(2,21)22
InChIKeyAUARWAHMIARVDQ-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.12
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene?
The IUPAC name of 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene (CID 19806861) is 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene.
What is the SMILES notation for 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene?
The canonical SMILES for 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene is FC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene?
The InChIKey is AUARWAHMIARVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F26/c17-3-1(5(19,20)11(31,32)9(3,27)28)7(23,24)13(35,36)15(39,40)16(41,42)14(37,38)8(25,26)2-4(18)10(29,30)12(33,34)6(2,21)22.
What are the key properties of 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene?
1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene has a molecular weight of 686.12 g/mol, XLogP of 9.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)hexyl]-2,3,3,4,4,5,5-heptafluorocyclopentene is sourced from PubChem (CID 19806861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).