1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane

C8H4F14O3 — CID 23264443

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane
SMILESFC(F)(F)C(F)(OCOCOC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F14O3/c9-3(5(11,12)13,6(14,15)16)24-1-23-2-25-4(10,7(17,18)19)8(20,21)22/h1-2H2
InChIKeyLFBKRPBZVBXMJL-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.53
Rot. Bonds6

About 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane

1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane (PubChem CID 23264443) has the molecular formula C8H4F14O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane
PubChem CID23264443
Molecular FormulaC8H4F14O3
Molecular Weight414.09 g/mol
Exact Mass413.99
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane
SMILESFC(F)(F)C(F)(OCOCOC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F14O3/c9-3(5(11,12)13,6(14,15)16)24-1-23-2-25-4(10,7(17,18)19)8(20,21)22/h1-2H2
InChIKeyLFBKRPBZVBXMJL-UHFFFAOYSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane (CID 23264443) is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane is FC(F)(F)C(F)(OCOCOC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane?
The InChIKey is LFBKRPBZVBXMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14O3/c9-3(5(11,12)13,6(14,15)16)24-1-23-2-25-4(10,7(17,18)19)8(20,21)22/h1-2H2.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane?
1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane has a molecular weight of 414.09 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethoxymethoxy)propane is sourced from PubChem (CID 23264443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).