2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane

C20H20F18O4 — CID 59010355

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane
SMILESCC1CCC(OCC(F)(F)C(F)(F)COC2(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/C20H20F18O4/c1-9-3-6-14(41-9,16(26,19(33,34)35)20(36,37)38)40-8-13(23,24)12(21,22)7-39-11(2)5-4-10(42-11)15(25,17(27,28)29)18(30,31)32/h9-10H,3-8H2,1-2H3
InChIKeyMBFZSFLLDMWHBP-UHFFFAOYSA-N
MW666.34 g/mol
LogP7.75
Rot. Bonds9

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane (PubChem CID 59010355) has the molecular formula C20H20F18O4 and a molecular weight of 666.34 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane
PubChem CID59010355
Molecular FormulaC20H20F18O4
Molecular Weight666.34 g/mol
Exact Mass666.11
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane
SMILESCC1CCC(OCC(F)(F)C(F)(F)COC2(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/C20H20F18O4/c1-9-3-6-14(41-9,16(26,19(33,34)35)20(36,37)38)40-8-13(23,24)12(21,22)7-39-11(2)5-4-10(42-11)15(25,17(27,28)29)18(30,31)32/h9-10H,3-8H2,1-2H3
InChIKeyMBFZSFLLDMWHBP-UHFFFAOYSA-N
XLogP7.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.34
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane (CID 59010355) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane is CC1CCC(OCC(F)(F)C(F)(F)COC2(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)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane?
The InChIKey is MBFZSFLLDMWHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F18O4/c1-9-3-6-14(41-9,16(26,19(33,34)35)20(36,37)38)40-8-13(23,24)12(21,22)7-39-11(2)5-4-10(42-11)15(25,17(27,28)29)18(30,31)32/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane has a molecular weight of 666.34 g/mol, XLogP of 7.75, 9 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)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane is sourced from PubChem (CID 59010355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).