(E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine

C21H16F2N2O — CID 6905098

IUPAC(E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine
SMILESFC(F)Oc1ccccc1/C=N/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16F2N2O/c22-21(23)26-19-14-8-7-13-18(19)15-24-25-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H/b24-15+
InChIKeyXCKVZPZNISDHPT-BUVRLJJBSA-N
MW350.37 g/mol
LogP5.16
Rot. Bonds6

About (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine

(E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine (PubChem CID 6905098) has the molecular formula C21H16F2N2O and a molecular weight of 350.37 g/mol. Its IUPAC name is (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine
PubChem CID6905098
Molecular FormulaC21H16F2N2O
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name(E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine
SMILESFC(F)Oc1ccccc1/C=N/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16F2N2O/c22-21(23)26-19-14-8-7-13-18(19)15-24-25-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H/b24-15+
InChIKeyXCKVZPZNISDHPT-BUVRLJJBSA-N
XLogP5.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine?
The IUPAC name of (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine (CID 6905098) is (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine.
What is the SMILES notation for (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine?
The canonical SMILES for (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine is FC(F)Oc1ccccc1/C=N/N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine?
The InChIKey is XCKVZPZNISDHPT-BUVRLJJBSA-N. The full InChI is InChI=1S/C21H16F2N2O/c22-21(23)26-19-14-8-7-13-18(19)15-24-25-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H/b24-15+.
What are the key properties of (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine?
(E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine has a molecular weight of 350.37 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine is sourced from PubChem (CID 6905098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).