2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane

C11H5F17O — CID 57261063

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane
SMILESFC1COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C11H5F17O/c12-3-1-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29-2-3/h3H,1-2H2
InChIKeyBOPMJTGEZKITFV-UHFFFAOYSA-N
MW476.13 g/mol
LogP5.78
Rot. Bonds

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane (PubChem CID 57261063) has the molecular formula C11H5F17O and a molecular weight of 476.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane
PubChem CID57261063
Molecular FormulaC11H5F17O
Molecular Weight476.13 g/mol
Exact Mass476.01
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane
SMILESFC1COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C11H5F17O/c12-3-1-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29-2-3/h3H,1-2H2
InChIKeyBOPMJTGEZKITFV-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.13
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11828643
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CID 134921
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-[(prop-2-yn-1-yl)oxy]octane
CID 125488954
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(trifluoromethoxy)heptane
CID 98454527
Ethyl perfluoroheptyl ether
CID 9909702
(Perfluorohexyl)ethyl ether
CID 87277022
Dodecafluoroheptyl ether
CID 87506221

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane (CID 57261063) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane is FC1COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane?
The InChIKey is BOPMJTGEZKITFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F17O/c12-3-1-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29-2-3/h3H,1-2H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane has a molecular weight of 476.13 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11-heptadecafluoro-oxacyclododecane is sourced from PubChem (CID 57261063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).