1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine

C18H12F8N2O4 — CID 2436504

IUPAC1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine
SMILESFC(F)Oc1ccc(C=NN=Cc2ccc(OC(F)F)cc2OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C18H12F8N2O4/c19-15(20)29-11-3-1-9(13(5-11)31-17(23)24)7-27-28-8-10-2-4-12(30-16(21)22)6-14(10)32-18(25)26/h1-8,15-18H
InChIKeyOUUOOCZQPMGLAY-UHFFFAOYSA-N
MW472.29 g/mol
LogP5.55
Rot. Bonds11

About 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine

1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine (PubChem CID 2436504) has the molecular formula C18H12F8N2O4 and a molecular weight of 472.29 g/mol. Its IUPAC name is 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine
PubChem CID2436504
Molecular FormulaC18H12F8N2O4
Molecular Weight472.29 g/mol
Exact Mass472.07
IUPAC Name1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine
SMILESFC(F)Oc1ccc(C=NN=Cc2ccc(OC(F)F)cc2OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C18H12F8N2O4/c19-15(20)29-11-3-1-9(13(5-11)31-17(23)24)7-27-28-8-10-2-4-12(30-16(21)22)6-14(10)32-18(25)26/h1-8,15-18H
InChIKeyOUUOOCZQPMGLAY-UHFFFAOYSA-N
XLogP5.55
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.29
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
The IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine (CID 2436504) is 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine.
What is the SMILES notation for 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
The canonical SMILES for 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine is FC(F)Oc1ccc(C=NN=Cc2ccc(OC(F)F)cc2OC(F)F)c(OC(F)F)c1.
What is the InChIKey of 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
The InChIKey is OUUOOCZQPMGLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F8N2O4/c19-15(20)29-11-3-1-9(13(5-11)31-17(23)24)7-27-28-8-10-2-4-12(30-16(21)22)6-14(10)32-18(25)26/h1-8,15-18H.
What are the key properties of 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine has a molecular weight of 472.29 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 2436504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).