1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene

C14F22 — CID 19806865

IUPAC1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene
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)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14F22/c15-3-1(5(17,18)9(3,25)26)7(21,22)11(29,30)13(33,34)14(35,36)12(31,32)8(23,24)2-4(16)10(27,28)6(2,19)20
InChIKeyCHJNBBWKFLPFOY-UHFFFAOYSA-N
MW586.11 g/mol
LogP7.81
Rot. Bonds7

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

1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene (PubChem CID 19806865) has the molecular formula C14F22 and a molecular weight of 586.11 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-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene.

Molecular Properties

Compound Name1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene
PubChem CID19806865
Molecular FormulaC14F22
Molecular Weight586.11 g/mol
Exact Mass585.96
IUPAC Name1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene
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)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14F22/c15-3-1(5(17,18)9(3,25)26)7(21,22)11(29,30)13(33,34)14(35,36)12(31,32)8(23,24)2-4(16)10(27,28)6(2,19)20
InChIKeyCHJNBBWKFLPFOY-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.11
LogP ≤ 57.81
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-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene 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-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene?
The IUPAC name of 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene (CID 19806865) is 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene.
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-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene?
The canonical SMILES for 1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene 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)C2(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-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene?
The InChIKey is CHJNBBWKFLPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F22/c15-3-1(5(17,18)9(3,25)26)7(21,22)11(29,30)13(33,34)14(35,36)12(31,32)8(23,24)2-4(16)10(27,28)6(2,19)20.
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-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene?
1-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(2,3,3,4,4-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene has a molecular weight of 586.11 g/mol, XLogP of 7.81, 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-pentafluorocyclobuten-1-yl)hexyl]-2,3,3,4,4-pentafluorocyclobutene is sourced from PubChem (CID 19806865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).