1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane

C15H14F18O2 — CID 15425011

IUPAC1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
SMILESCC(OCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H14F18O2/c1-4(10(19,20)7(16)13(25,26)27)34-3-6(12(23,24)9(18)15(31,32)33)35-5(2)11(21,22)8(17)14(28,29)30/h4-9H,3H2,1-2H3
InChIKeyZEYFIASTMTZDMR-UHFFFAOYSA-N
MW568.24 g/mol
LogP6.77
Rot. Bonds11

About 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane

1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane (PubChem CID 15425011) has the molecular formula C15H14F18O2 and a molecular weight of 568.24 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
PubChem CID15425011
Molecular FormulaC15H14F18O2
Molecular Weight568.24 g/mol
Exact Mass568.07
IUPAC Name1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
SMILESCC(OCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H14F18O2/c1-4(10(19,20)7(16)13(25,26)27)34-3-6(12(23,24)9(18)15(31,32)33)35-5(2)11(21,22)8(17)14(28,29)30/h4-9H,3H2,1-2H3
InChIKeyZEYFIASTMTZDMR-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.24
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane (CID 15425011) is 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane is CC(OCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
The InChIKey is ZEYFIASTMTZDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F18O2/c1-4(10(19,20)7(16)13(25,26)27)34-3-6(12(23,24)9(18)15(31,32)33)35-5(2)11(21,22)8(17)14(28,29)30/h4-9H,3H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane has a molecular weight of 568.24 g/mol, XLogP of 6.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4,5-bis(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane is sourced from PubChem (CID 15425011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).