1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol

C20H16F24O6 — CID 59911896

IUPAC1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol
SMILESOC(COC(CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(CC(OCC1CO1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H16F24O6/c21-13(22,23)9(46,14(24,25)26)5-10(15(27,28)29,16(30,31)32)48-1-7(45)2-49-11(17(33,34)35,18(36,37)38)6-12(19(39,40)41,20(42,43)44)50-4-8-3-47-8/h7-8,45-46H,1-6H2
InChIKeyGKNYTAYJYYNJLJ-UHFFFAOYSA-N
MW808.29 g/mol
LogP7.02
Rot. Bonds13

About 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol

1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol (PubChem CID 59911896) has the molecular formula C20H16F24O6 and a molecular weight of 808.29 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol
PubChem CID59911896
Molecular FormulaC20H16F24O6
Molecular Weight808.29 g/mol
Exact Mass808.06
IUPAC Name1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol
SMILESOC(COC(CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(CC(OCC1CO1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H16F24O6/c21-13(22,23)9(46,14(24,25)26)5-10(15(27,28)29,16(30,31)32)48-1-7(45)2-49-11(17(33,34)35,18(36,37)38)6-12(19(39,40)41,20(42,43)44)50-4-8-3-47-8/h7-8,45-46H,1-6H2
InChIKeyGKNYTAYJYYNJLJ-UHFFFAOYSA-N
XLogP7.02
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.29
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol (CID 59911896) is 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol is OC(COC(CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(CC(OCC1CO1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol?
The InChIKey is GKNYTAYJYYNJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F24O6/c21-13(22,23)9(46,14(24,25)26)5-10(15(27,28)29,16(30,31)32)48-1-7(45)2-49-11(17(33,34)35,18(36,37)38)6-12(19(39,40)41,20(42,43)44)50-4-8-3-47-8/h7-8,45-46H,1-6H2.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol?
1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol has a molecular weight of 808.29 g/mol, XLogP of 7.02, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-[3-[1,1,1,5,5,5-hexafluoro-4-(oxiran-2-ylmethoxy)-2,4-bis(trifluoromethyl)pentan-2-yl]oxy-2-hydroxypropoxy]-2,4-bis(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 59911896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).