2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane

C20H24F14O5 — CID 59010311

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane
SMILESCC1CCC(OCCOCCOC2(C)CCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C20H24F14O5/c1-11-3-6-14(38-11,16(22,19(29,30)31)20(32,33)34)37-10-8-35-7-9-36-13(2)5-4-12(39-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyXFVUSXLAFWSKDN-UHFFFAOYSA-N
MW610.38 g/mol
LogP6.49
Rot. Bonds10

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane (PubChem CID 59010311) has the molecular formula C20H24F14O5 and a molecular weight of 610.38 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane
PubChem CID59010311
Molecular FormulaC20H24F14O5
Molecular Weight610.38 g/mol
Exact Mass610.14
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane
SMILESCC1CCC(OCCOCCOC2(C)CCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C20H24F14O5/c1-11-3-6-14(38-11,16(22,19(29,30)31)20(32,33)34)37-10-8-35-7-9-36-13(2)5-4-12(39-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyXFVUSXLAFWSKDN-UHFFFAOYSA-N
XLogP6.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.38
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane (CID 59010311) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane is CC1CCC(OCCOCCOC2(C)CCC(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 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane?
The InChIKey is XFVUSXLAFWSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F14O5/c1-11-3-6-14(38-11,16(22,19(29,30)31)20(32,33)34)37-10-8-35-7-9-36-13(2)5-4-12(39-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane has a molecular weight of 610.38 g/mol, XLogP of 6.49, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]ethoxy]-5-methyloxolane is sourced from PubChem (CID 59010311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).