(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine

C16H14F2N2O2 — CID 19368372

IUPAC(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/N=C/c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O2/c1-21-14-6-2-12(3-7-14)10-19-20-11-13-4-8-15(9-5-13)22-16(17)18/h2-11,16H,1H3/b19-10+,20-11+
InChIKeyQHHRXLVMYNMJJM-ROUMAOROSA-N
MW304.30 g/mol
LogP3.75
Rot. Bonds6

About (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine

(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine (PubChem CID 19368372) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
PubChem CID19368372
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/N=C/c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O2/c1-21-14-6-2-12(3-7-14)10-19-20-11-13-4-8-15(9-5-13)22-16(17)18/h2-11,16H,1H3/b19-10+,20-11+
InChIKeyQHHRXLVMYNMJJM-ROUMAOROSA-N
XLogP3.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.75
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)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine (CID 19368372) is (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/N=C/c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
The InChIKey is QHHRXLVMYNMJJM-ROUMAOROSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-21-14-6-2-12(3-7-14)10-19-20-11-13-4-8-15(9-5-13)22-16(17)18/h2-11,16H,1H3/b19-10+,20-11+.
What are the key properties of (E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine?
(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine has a molecular weight of 304.30 g/mol, XLogP of 3.75, 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)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 19368372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).