1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane

C10H4F16O3 — CID 59335562

IUPAC1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C10H4F16O3/c1-3(12)4(13,14)28-6(16,8(20,21)22)10(25,26)29-5(15,7(17,18)19)9(23,24)27-2-11/h1-2H2
InChIKeyLHXNCBAZPYPDTA-UHFFFAOYSA-N
MW476.11 g/mol
LogP5.68
Rot. Bonds9

About 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 59335562) has the molecular formula C10H4F16O3 and a molecular weight of 476.11 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID59335562
Molecular FormulaC10H4F16O3
Molecular Weight476.11 g/mol
Exact Mass475.99
IUPAC Name1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C10H4F16O3/c1-3(12)4(13,14)28-6(16,8(20,21)22)10(25,26)29-5(15,7(17,18)19)9(23,24)27-2-11/h1-2H2
InChIKeyLHXNCBAZPYPDTA-UHFFFAOYSA-N
XLogP5.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.11
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 59335562) is 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is LHXNCBAZPYPDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F16O3/c1-3(12)4(13,14)28-6(16,8(20,21)22)10(25,26)29-5(15,7(17,18)19)9(23,24)27-2-11/h1-2H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 476.11 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 59335562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).