3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane

C15H6F26O2 — CID 22292396

IUPAC3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(OCCCOC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H6F26O2/c16-4(10(24,25)26,11(27,28)29)8(22,6(18,19)14(36,37)38)42-2-1-3-43-9(23,7(20,21)15(39,40)41)5(17,12(30,31)32)13(33,34)35/h1-3H2
InChIKeyZZTGKMKLEJZOIM-UHFFFAOYSA-N
MW712.16 g/mol
LogP8.80
Rot. Bonds10

About 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane

3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane (PubChem CID 22292396) has the molecular formula C15H6F26O2 and a molecular weight of 712.16 g/mol. Its IUPAC name is 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
PubChem CID22292396
Molecular FormulaC15H6F26O2
Molecular Weight712.16 g/mol
Exact Mass712.00
IUPAC Name3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(OCCCOC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H6F26O2/c16-4(10(24,25)26,11(27,28)29)8(22,6(18,19)14(36,37)38)42-2-1-3-43-9(23,7(20,21)15(39,40)41)5(17,12(30,31)32)13(33,34)35/h1-3H2
InChIKeyZZTGKMKLEJZOIM-UHFFFAOYSA-N
XLogP8.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.16
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane (CID 22292396) is 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane is FC(F)(F)C(F)(F)C(F)(OCCCOC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
The InChIKey is ZZTGKMKLEJZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F26O2/c16-4(10(24,25)26,11(27,28)29)8(22,6(18,19)14(36,37)38)42-2-1-3-43-9(23,7(20,21)15(39,40)41)5(17,12(30,31)32)13(33,34)35/h1-3H2.
What are the key properties of 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane has a molecular weight of 712.16 g/mol, XLogP of 8.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 22292396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).