2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane

C15H22F10O3 — CID 155773675

IUPAC2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane
SMILESCC(C)OC(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)COC(C)(C)C
InChIInChI=1S/C15H22F10O3/c1-9(2)28-15(24,25)13(20,21)7-26-6-11(16,17)14(22,23)12(18,19)8-27-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyJKMKQBMBPIBHNX-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.38
Rot. Bonds11

About 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane

2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane (PubChem CID 155773675) has the molecular formula C15H22F10O3 and a molecular weight of 440.32 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane
PubChem CID155773675
Molecular FormulaC15H22F10O3
Molecular Weight440.32 g/mol
Exact Mass440.14
IUPAC Name2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane
SMILESCC(C)OC(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)COC(C)(C)C
InChIInChI=1S/C15H22F10O3/c1-9(2)28-15(24,25)13(20,21)7-26-6-11(16,17)14(22,23)12(18,19)8-27-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyJKMKQBMBPIBHNX-UHFFFAOYSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane (CID 155773675) is 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane is CC(C)OC(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)COC(C)(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane?
The InChIKey is JKMKQBMBPIBHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F10O3/c1-9(2)28-15(24,25)13(20,21)7-26-6-11(16,17)14(22,23)12(18,19)8-27-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane?
2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane has a molecular weight of 440.32 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane is sourced from PubChem (CID 155773675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).