(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine

C23H17ClF3NO — CID 13282522

IUPAC(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine
SMILESFc1cc(F)c(-c2ccccc2)c(F)c1CO/N=C(/c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C23H17ClF3NO/c24-17-10-8-16(9-11-17)23(15-6-7-15)28-29-13-18-19(25)12-20(26)21(22(18)27)14-4-2-1-3-5-14/h1-5,8-12,15H,6-7,13H2/b28-23+
InChIKeyDSPIFMHDCRHZND-WEMUOSSPSA-N
MW415.84 g/mol
LogP6.76
Rot. Bonds6

About (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine

(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine (PubChem CID 13282522) has the molecular formula C23H17ClF3NO and a molecular weight of 415.84 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine
PubChem CID13282522
Molecular FormulaC23H17ClF3NO
Molecular Weight415.84 g/mol
Exact Mass415.10
IUPAC Name(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine
SMILESFc1cc(F)c(-c2ccccc2)c(F)c1CO/N=C(/c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C23H17ClF3NO/c24-17-10-8-16(9-11-17)23(15-6-7-15)28-29-13-18-19(25)12-20(26)21(22(18)27)14-4-2-1-3-5-14/h1-5,8-12,15H,6-7,13H2/b28-23+
InChIKeyDSPIFMHDCRHZND-WEMUOSSPSA-N
XLogP6.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine (CID 13282522) is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine is Fc1cc(F)c(-c2ccccc2)c(F)c1CO/N=C(/c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine?
The InChIKey is DSPIFMHDCRHZND-WEMUOSSPSA-N. The full InChI is InChI=1S/C23H17ClF3NO/c24-17-10-8-16(9-11-17)23(15-6-7-15)28-29-13-18-19(25)12-20(26)21(22(18)27)14-4-2-1-3-5-14/h1-5,8-12,15H,6-7,13H2/b28-23+.
What are the key properties of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine has a molecular weight of 415.84 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine is sourced from PubChem (CID 13282522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).