(E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine

C14H8F5NO — CID 11738153

IUPAC(E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFc1cc(F)cc(O/N=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F5NO/c15-11-5-12(16)7-13(6-11)21-20-8-9-2-1-3-10(4-9)14(17,18)19/h1-8H/b20-8+
InChIKeyQVIQXWGTYWREMM-DNTJNYDQSA-N
MW301.21 g/mol
LogP4.40
Rot. Bonds3

About (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine

(E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 11738153) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID11738153
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC Name(E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFc1cc(F)cc(O/N=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F5NO/c15-11-5-12(16)7-13(6-11)21-20-8-9-2-1-3-10(4-9)14(17,18)19/h1-8H/b20-8+
InChIKeyQVIQXWGTYWREMM-DNTJNYDQSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.40
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)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine (CID 11738153) is (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine is Fc1cc(F)cc(O/N=C/c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is QVIQXWGTYWREMM-DNTJNYDQSA-N. The full InChI is InChI=1S/C14H8F5NO/c15-11-5-12(16)7-13(6-11)21-20-8-9-2-1-3-10(4-9)14(17,18)19/h1-8H/b20-8+.
What are the key properties of (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine?
(E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 301.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-difluorophenoxy)-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 11738153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).