1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane

C14H18F12O3 — CID 150252472

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane
SMILESCC(C)COC(OC(OCC(C)C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H18F12O3/c1-7(2)5-27-9(11(15,16)17,12(18,19)20)29-10(13(21,22)23,14(24,25)26)28-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyFZVWKTZOOXAZJS-UHFFFAOYSA-N
MW462.27 g/mol
LogP5.99
Rot. Bonds8

About 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane

1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane (PubChem CID 150252472) has the molecular formula C14H18F12O3 and a molecular weight of 462.27 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane
PubChem CID150252472
Molecular FormulaC14H18F12O3
Molecular Weight462.27 g/mol
Exact Mass462.11
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane
SMILESCC(C)COC(OC(OCC(C)C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H18F12O3/c1-7(2)5-27-9(11(15,16)17,12(18,19)20)29-10(13(21,22)23,14(24,25)26)28-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyFZVWKTZOOXAZJS-UHFFFAOYSA-N
XLogP5.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.27
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane (CID 150252472) is 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane is CC(C)COC(OC(OCC(C)C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane?
The InChIKey is FZVWKTZOOXAZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F12O3/c1-7(2)5-27-9(11(15,16)17,12(18,19)20)29-10(13(21,22)23,14(24,25)26)28-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane?
1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane has a molecular weight of 462.27 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]oxypropan-2-yl]oxy-2-methylpropane is sourced from PubChem (CID 150252472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).