3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane

C18H26F8O4 — CID 11271083

IUPAC3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane
SMILESCCC1(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC2(CC)COC2)COC1
InChIInChI=1S/C18H26F8O4/c1-3-13(5-27-6-13)9-29-11-15(19,20)17(23,24)18(25,26)16(21,22)12-30-10-14(4-2)7-28-8-14/h3-12H2,1-2H3
InChIKeyYHPAMUSAWICJEZ-UHFFFAOYSA-N
MW458.39 g/mol
LogP4.41
Rot. Bonds13

About 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane

3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane (PubChem CID 11271083) has the molecular formula C18H26F8O4 and a molecular weight of 458.39 g/mol. Its IUPAC name is 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane
PubChem CID11271083
Molecular FormulaC18H26F8O4
Molecular Weight458.39 g/mol
Exact Mass458.17
IUPAC Name3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane
SMILESCCC1(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC2(CC)COC2)COC1
InChIInChI=1S/C18H26F8O4/c1-3-13(5-27-6-13)9-29-11-15(19,20)17(23,24)18(25,26)16(21,22)12-30-10-14(4-2)7-28-8-14/h3-12H2,1-2H3
InChIKeyYHPAMUSAWICJEZ-UHFFFAOYSA-N
XLogP4.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane (CID 11271083) is 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane is CCC1(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane?
The InChIKey is YHPAMUSAWICJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F8O4/c1-3-13(5-27-6-13)9-29-11-15(19,20)17(23,24)18(25,26)16(21,22)12-30-10-14(4-2)7-28-8-14/h3-12H2,1-2H3.
What are the key properties of 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane?
3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane has a molecular weight of 458.39 g/mol, XLogP of 4.41, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane is sourced from PubChem (CID 11271083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).