1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene

C18H6F28O2 — CID 162115036

IUPAC1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C18H6F28O2/c19-5(20)11(31,32)15(39,40)17(43,44)13(35,36)7(23,24)1-47-3-4(10(29,30)9(3,27)28)48-2-8(25,26)14(37,38)18(45,46)16(41,42)12(33,34)6(21)22/h5-6H,1-2H2
InChIKeyZGQPUESWDYARDR-UHFFFAOYSA-N
MW786.19 g/mol
LogP9.40
Rot. Bonds16

About 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene

1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene (PubChem CID 162115036) has the molecular formula C18H6F28O2 and a molecular weight of 786.19 g/mol. Its IUPAC name is 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene.

Molecular Properties

Compound Name1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
PubChem CID162115036
Molecular FormulaC18H6F28O2
Molecular Weight786.19 g/mol
Exact Mass785.99
IUPAC Name1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C18H6F28O2/c19-5(20)11(31,32)15(39,40)17(43,44)13(35,36)7(23,24)1-47-3-4(10(29,30)9(3,27)28)48-2-8(25,26)14(37,38)18(45,46)16(41,42)12(33,34)6(21)22/h5-6H,1-2H2
InChIKeyZGQPUESWDYARDR-UHFFFAOYSA-N
XLogP9.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.19
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 154171412
1-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
CID 159804646

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
The IUPAC name of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene (CID 162115036) is 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene.
What is the SMILES notation for 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
The canonical SMILES for 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
The InChIKey is ZGQPUESWDYARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F28O2/c19-5(20)11(31,32)15(39,40)17(43,44)13(35,36)7(23,24)1-47-3-4(10(29,30)9(3,27)28)48-2-8(25,26)14(37,38)18(45,46)16(41,42)12(33,34)6(21)22/h5-6H,1-2H2.
What are the key properties of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene has a molecular weight of 786.19 g/mol, XLogP of 9.40, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene is sourced from PubChem (CID 162115036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).