(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine

C14H8Cl2F3NO — CID 11450448

IUPAC(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
SMILESFC(F)(F)c1ccccc1O/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl2F3NO/c15-11-5-3-6-12(16)9(11)8-20-21-13-7-2-1-4-10(13)14(17,18)19/h1-8H/b20-8+
InChIKeyKAOSHJYBLGZHQN-DNTJNYDQSA-N
MW334.12 g/mol
LogP5.43
Rot. Bonds3

About (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine

(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine (PubChem CID 11450448) has the molecular formula C14H8Cl2F3NO and a molecular weight of 334.12 g/mol. Its IUPAC name is (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
PubChem CID11450448
Molecular FormulaC14H8Cl2F3NO
Molecular Weight334.12 g/mol
Exact Mass332.99
IUPAC Name(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
SMILESFC(F)(F)c1ccccc1O/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl2F3NO/c15-11-5-3-6-12(16)9(11)8-20-21-13-7-2-1-4-10(13)14(17,18)19/h1-8H/b20-8+
InChIKeyKAOSHJYBLGZHQN-DNTJNYDQSA-N
XLogP5.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.12
LogP ≤ 55.43
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-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
The IUPAC name of (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine (CID 11450448) is (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine.
What is the SMILES notation for (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
The canonical SMILES for (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine is FC(F)(F)c1ccccc1O/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
The InChIKey is KAOSHJYBLGZHQN-DNTJNYDQSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO/c15-11-5-3-6-12(16)9(11)8-20-21-13-7-2-1-4-10(13)14(17,18)19/h1-8H/b20-8+.
What are the key properties of (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine has a molecular weight of 334.12 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine is sourced from PubChem (CID 11450448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).