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

C19H12F10N2O2 — CID 71433851

IUPACN,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine
SMILESFc1c(F)c(F)c(CON=CCCCC=NOCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H12F10N2O2/c20-10-8(11(21)15(25)18(28)14(10)24)6-32-30-4-2-1-3-5-31-33-7-9-12(22)16(26)19(29)17(27)13(9)23/h4-5H,1-3,6-7H2
InChIKeyYAGVMVPKFZBARN-UHFFFAOYSA-N
MW490.30 g/mol
LogP5.95
Rot. Bonds10

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

N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine (PubChem CID 71433851) has the molecular formula C19H12F10N2O2 and a molecular weight of 490.30 g/mol. Its IUPAC name is N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine.

Molecular Properties

Compound NameN,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine
PubChem CID71433851
Molecular FormulaC19H12F10N2O2
Molecular Weight490.30 g/mol
Exact Mass490.07
IUPAC NameN,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine
SMILESFc1c(F)c(F)c(CON=CCCCC=NOCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H12F10N2O2/c20-10-8(11(21)15(25)18(28)14(10)24)6-32-30-4-2-1-3-5-31-33-7-9-12(22)16(26)19(29)17(27)13(9)23/h4-5H,1-3,6-7H2
InChIKeyYAGVMVPKFZBARN-UHFFFAOYSA-N
XLogP5.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.30
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]pentane-1,5-diimine?
The IUPAC name of N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine (CID 71433851) is N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine.
What is the SMILES notation for N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine?
The canonical SMILES for N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine is Fc1c(F)c(F)c(CON=CCCCC=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]pentane-1,5-diimine?
The InChIKey is YAGVMVPKFZBARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F10N2O2/c20-10-8(11(21)15(25)18(28)14(10)24)6-32-30-4-2-1-3-5-31-33-7-9-12(22)16(26)19(29)17(27)13(9)23/h4-5H,1-3,6-7H2.
What are the key properties of N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine?
N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine has a molecular weight of 490.30 g/mol, XLogP of 5.95, 10 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]pentane-1,5-diimine is sourced from PubChem (CID 71433851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).