N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine

C16H6F10N2O2 — CID 602476

IUPACN,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine
SMILESFc1c(F)c(F)c(CON=CC=NOCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H6F10N2O2/c17-7-5(8(18)12(22)15(25)11(7)21)3-29-27-1-2-28-30-4-6-9(19)13(23)16(26)14(24)10(6)20/h1-2H,3-4H2
InChIKeyVNVBOBJSRGZDCW-UHFFFAOYSA-N
MW448.22 g/mol
LogP4.78
Rot. Bonds7

About N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine

N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine (PubChem CID 602476) has the molecular formula C16H6F10N2O2 and a molecular weight of 448.22 g/mol. Its IUPAC name is N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine
PubChem CID602476
Molecular FormulaC16H6F10N2O2
Molecular Weight448.22 g/mol
Exact Mass448.03
IUPAC NameN,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine
SMILESFc1c(F)c(F)c(CON=CC=NOCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H6F10N2O2/c17-7-5(8(18)12(22)15(25)11(7)21)3-29-27-1-2-28-30-4-6-9(19)13(23)16(26)14(24)10(6)20/h1-2H,3-4H2
InChIKeyVNVBOBJSRGZDCW-UHFFFAOYSA-N
XLogP4.78
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.22
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine?
The IUPAC name of N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine (CID 602476) is N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine?
The canonical SMILES for N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine is Fc1c(F)c(F)c(CON=CC=NOCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine?
The InChIKey is VNVBOBJSRGZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F10N2O2/c17-7-5(8(18)12(22)15(25)11(7)21)3-29-27-1-2-28-30-4-6-9(19)13(23)16(26)14(24)10(6)20/h1-2H,3-4H2.
What are the key properties of N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine?
N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine has a molecular weight of 448.22 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]ethane-1,2-diimine is sourced from PubChem (CID 602476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).