N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine

C30H30F11NO6 — CID 75238831

IUPACN-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine
SMILESCCOC1C(OC)C(C)OC(ON=Cc2ccc(C=Cc3ccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)C1OC
InChIInChI=1S/C30H30F11NO6/c1-5-45-23-22(43-3)17(2)46-25(24(23)44-4)47-42-16-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26(31,32)29(38,39)48-30(40,41)27(33,34)28(35,36)37/h6-17,22-25H,5H2,1-4H3
InChIKeyQQARNAQZUQIYQP-UHFFFAOYSA-N
MW709.55 g/mol
LogP7.88
Rot. Bonds14

About N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine

N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine (PubChem CID 75238831) has the molecular formula C30H30F11NO6 and a molecular weight of 709.55 g/mol. Its IUPAC name is N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine
PubChem CID75238831
Molecular FormulaC30H30F11NO6
Molecular Weight709.55 g/mol
Exact Mass709.19
IUPAC NameN-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine
SMILESCCOC1C(OC)C(C)OC(ON=Cc2ccc(C=Cc3ccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)C1OC
InChIInChI=1S/C30H30F11NO6/c1-5-45-23-22(43-3)17(2)46-25(24(23)44-4)47-42-16-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26(31,32)29(38,39)48-30(40,41)27(33,34)28(35,36)37/h6-17,22-25H,5H2,1-4H3
InChIKeyQQARNAQZUQIYQP-UHFFFAOYSA-N
XLogP7.88
TPSA67.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.55
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine?
The IUPAC name of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine (CID 75238831) is N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine.
What is the SMILES notation for N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine?
The canonical SMILES for N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine is CCOC1C(OC)C(C)OC(ON=Cc2ccc(C=Cc3ccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)C1OC.
What is the InChIKey of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine?
The InChIKey is QQARNAQZUQIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F11NO6/c1-5-45-23-22(43-3)17(2)46-25(24(23)44-4)47-42-16-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26(31,32)29(38,39)48-30(40,41)27(33,34)28(35,36)37/h6-17,22-25H,5H2,1-4H3.
What are the key properties of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine?
N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine has a molecular weight of 709.55 g/mol, XLogP of 7.88, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]phenyl]ethenyl]phenyl]methanimine is sourced from PubChem (CID 75238831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).