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

C18H20F14O4 — CID 59010351

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane
SMILESCC1CCC(OCCOC2(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/C18H20F14O4/c1-9-3-6-12(35-9,14(20,17(27,28)29)18(30,31)32)34-8-7-33-11(2)5-4-10(36-11)13(19,15(21,22)23)16(24,25)26/h9-10H,3-8H2,1-2H3
InChIKeyLZLXXJPFHNMMMH-UHFFFAOYSA-N
MW566.33 g/mol
LogP6.48
Rot. Bonds7

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

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane (PubChem CID 59010351) has the molecular formula C18H20F14O4 and a molecular weight of 566.33 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane
PubChem CID59010351
Molecular FormulaC18H20F14O4
Molecular Weight566.33 g/mol
Exact Mass566.11
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane
SMILESCC1CCC(OCCOC2(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/C18H20F14O4/c1-9-3-6-12(35-9,14(20,17(27,28)29)18(30,31)32)34-8-7-33-11(2)5-4-10(36-11)13(19,15(21,22)23)16(24,25)26/h9-10H,3-8H2,1-2H3
InChIKeyLZLXXJPFHNMMMH-UHFFFAOYSA-N
XLogP6.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.33
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane (CID 59010351) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane is CC1CCC(OCCOC2(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-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane?
The InChIKey is LZLXXJPFHNMMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F14O4/c1-9-3-6-12(35-9,14(20,17(27,28)29)18(30,31)32)34-8-7-33-11(2)5-4-10(36-11)13(19,15(21,22)23)16(24,25)26/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane has a molecular weight of 566.33 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxyethoxy]-5-methyloxolane is sourced from PubChem (CID 59010351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).