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

C19H12F24O4 — CID 59010354

IUPAC2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane
SMILESCC1(F)OC(OCCCOC2(C)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C2(F)F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C19H12F24O4/c1-6(20)10(23,24)13(29,30)15(46-6,9(22,18(38,39)40)19(41,42)43)45-5-3-4-44-7(2)11(25,26)12(27,28)14(31,47-7)8(21,16(32,33)34)17(35,36)37/h3-5H2,1-2H3
InChIKeyWICLXBDTPHEUMS-UHFFFAOYSA-N
MW760.25 g/mol
LogP8.44
Rot. Bonds8

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

2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane (PubChem CID 59010354) has the molecular formula C19H12F24O4 and a molecular weight of 760.25 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane
PubChem CID59010354
Molecular FormulaC19H12F24O4
Molecular Weight760.25 g/mol
Exact Mass760.04
IUPAC Name2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane
SMILESCC1(F)OC(OCCCOC2(C)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C2(F)F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C19H12F24O4/c1-6(20)10(23,24)13(29,30)15(46-6,9(22,18(38,39)40)19(41,42)43)45-5-3-4-44-7(2)11(25,26)12(27,28)14(31,47-7)8(21,16(32,33)34)17(35,36)37/h3-5H2,1-2H3
InChIKeyWICLXBDTPHEUMS-UHFFFAOYSA-N
XLogP8.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.25
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

2-Ethoxy-3,3,4,4,5-pentafluoro-2,5-bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]tetrahydrofuran
CID 44224734
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
2-Ethoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010318
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane
CID 59010321
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane
CID 59010326
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
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
2-Butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010356
3,3,4,4-Tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane
CID 87653387
2,5-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane
CID 89321926
2,5-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
CID 89321929
2-Ethoxy-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
CID 89322097

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane?
The IUPAC name of 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane (CID 59010354) is 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane?
The canonical SMILES for 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane is CC1(F)OC(OCCCOC2(C)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C2(F)F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane?
The InChIKey is WICLXBDTPHEUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F24O4/c1-6(20)10(23,24)13(29,30)15(46-6,9(22,18(38,39)40)19(41,42)43)45-5-3-4-44-7(2)11(25,26)12(27,28)14(31,47-7)8(21,16(32,33)34)17(35,36)37/h3-5H2,1-2H3.
What are the key properties of 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane?
2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane has a molecular weight of 760.25 g/mol, XLogP of 8.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane is sourced from PubChem (CID 59010354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).