2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane

C23H24F20O4 — CID 59010338

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane
SMILESCC1CC(C(F)(F)F)CC(OCCCOC2(C)CC(C(F)(F)F)CC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C23H24F20O4/c1-10-6-11(17(25,26)27)9-15(46-10,19(31,22(38,39)40)23(41,42)43)45-5-3-4-44-14(2)8-12(18(28,29)30)7-13(47-14)16(24,20(32,33)34)21(35,36)37/h10-13H,3-9H2,1-2H3
InChIKeyNXXJTHBQDPLIIH-UHFFFAOYSA-N
MW744.40 g/mol
LogP9.22
Rot. Bonds8

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane (PubChem CID 59010338) has the molecular formula C23H24F20O4 and a molecular weight of 744.40 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane
PubChem CID59010338
Molecular FormulaC23H24F20O4
Molecular Weight744.40 g/mol
Exact Mass744.14
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane
SMILESCC1CC(C(F)(F)F)CC(OCCCOC2(C)CC(C(F)(F)F)CC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C23H24F20O4/c1-10-6-11(17(25,26)27)9-15(46-10,19(31,22(38,39)40)23(41,42)43)45-5-3-4-44-14(2)8-12(18(28,29)30)7-13(47-14)16(24,20(32,33)34)21(35,36)37/h10-13H,3-9H2,1-2H3
InChIKeyNXXJTHBQDPLIIH-UHFFFAOYSA-N
XLogP9.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.40
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane 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)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane (CID 59010338) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane is CC1CC(C(F)(F)F)CC(OCCCOC2(C)CC(C(F)(F)F)CC(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-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane?
The InChIKey is NXXJTHBQDPLIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F20O4/c1-10-6-11(17(25,26)27)9-15(46-10,19(31,22(38,39)40)23(41,42)43)45-5-3-4-44-14(2)8-12(18(28,29)30)7-13(47-14)16(24,20(32,33)34)21(35,36)37/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane has a molecular weight of 744.40 g/mol, XLogP of 9.22, 8 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-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane is sourced from PubChem (CID 59010338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).