6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane

C20H24F14O4 — CID 59010329

IUPAC6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane
SMILESCC1CCC(OCCCOC2(C)CCCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C20H24F14O4/c1-11-6-8-14(37-11,16(22,19(29,30)31)20(32,33)34)36-10-4-9-35-13(2)7-3-5-12(38-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyZLKGDLANXMXSDQ-UHFFFAOYSA-N
MW594.38 g/mol
LogP7.26
Rot. Bonds8

About 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane

6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane (PubChem CID 59010329) has the molecular formula C20H24F14O4 and a molecular weight of 594.38 g/mol. Its IUPAC name is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane.

Molecular Properties

Compound Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane
PubChem CID59010329
Molecular FormulaC20H24F14O4
Molecular Weight594.38 g/mol
Exact Mass594.15
IUPAC Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane
SMILESCC1CCC(OCCCOC2(C)CCCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C20H24F14O4/c1-11-6-8-14(37-11,16(22,19(29,30)31)20(32,33)34)36-10-4-9-35-13(2)7-3-5-12(38-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyZLKGDLANXMXSDQ-UHFFFAOYSA-N
XLogP7.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.38
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane?
The IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane (CID 59010329) is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane.
What is the SMILES notation for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane?
The canonical SMILES for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane is CC1CCC(OCCCOC2(C)CCCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane?
The InChIKey is ZLKGDLANXMXSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F14O4/c1-11-6-8-14(37-11,16(22,19(29,30)31)20(32,33)34)36-10-4-9-35-13(2)7-3-5-12(38-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3.
What are the key properties of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane?
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane has a molecular weight of 594.38 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane is sourced from PubChem (CID 59010329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).