(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine

C16H12F4N2O2 — CID 19368279

IUPAC(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/N=C/c2cc(F)c(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C16H12F4N2O2/c1-23-12-4-2-10(3-5-12)8-21-22-9-11-6-13(17)15(14(18)7-11)24-16(19)20/h2-9,16H,1H3/b21-8+,22-9+
InChIKeyRMFVIAAZTXQJIF-QFNQXPJWSA-N
MW340.28 g/mol
LogP4.03
Rot. Bonds6

About (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine

(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine (PubChem CID 19368279) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
PubChem CID19368279
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC Name(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/N=C/c2cc(F)c(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C16H12F4N2O2/c1-23-12-4-2-10(3-5-12)8-21-22-9-11-6-13(17)15(14(18)7-11)24-16(19)20/h2-9,16H,1H3/b21-8+,22-9+
InChIKeyRMFVIAAZTXQJIF-QFNQXPJWSA-N
XLogP4.03
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine (CID 19368279) is (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/N=C/c2cc(F)c(OC(F)F)c(F)c2)cc1.
What is the InChIKey of (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
The InChIKey is RMFVIAAZTXQJIF-QFNQXPJWSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c1-23-12-4-2-10(3-5-12)8-21-22-9-11-6-13(17)15(14(18)7-11)24-16(19)20/h2-9,16H,1H3/b21-8+,22-9+.
What are the key properties of (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine has a molecular weight of 340.28 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 19368279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).