(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine

C20H12F5NO — CID 56681879

IUPAC(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine
SMILESFc1c(F)c(F)c(CO/N=C/c2ccccc2-c2ccccc2)c(F)c1F
InChIInChI=1S/C20H12F5NO/c21-16-15(17(22)19(24)20(25)18(16)23)11-27-26-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-10H,11H2/b26-10+
InChIKeyNCKQDUDWUOEDHW-NSKAYECMSA-N
MW377.31 g/mol
LogP5.60
Rot. Bonds5

About (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine

(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine (PubChem CID 56681879) has the molecular formula C20H12F5NO and a molecular weight of 377.31 g/mol. Its IUPAC name is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine
PubChem CID56681879
Molecular FormulaC20H12F5NO
Molecular Weight377.31 g/mol
Exact Mass377.08
IUPAC Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine
SMILESFc1c(F)c(F)c(CO/N=C/c2ccccc2-c2ccccc2)c(F)c1F
InChIInChI=1S/C20H12F5NO/c21-16-15(17(22)19(24)20(25)18(16)23)11-27-26-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-10H,11H2/b26-10+
InChIKeyNCKQDUDWUOEDHW-NSKAYECMSA-N
XLogP5.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.31
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine?
The IUPAC name of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine (CID 56681879) is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine?
The canonical SMILES for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine is Fc1c(F)c(F)c(CO/N=C/c2ccccc2-c2ccccc2)c(F)c1F.
What is the InChIKey of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine?
The InChIKey is NCKQDUDWUOEDHW-NSKAYECMSA-N. The full InChI is InChI=1S/C20H12F5NO/c21-16-15(17(22)19(24)20(25)18(16)23)11-27-26-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-10H,11H2/b26-10+.
What are the key properties of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine?
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine has a molecular weight of 377.31 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine is sourced from PubChem (CID 56681879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).