(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine

C14H10F3NO — CID 11242540

IUPAC(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/Oc2ccccc2)c1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-6-4-5-11(9-12)10-18-19-13-7-2-1-3-8-13/h1-10H/b18-10+
InChIKeyGIWFVUIOOYPWGX-VCHYOVAHSA-N
MW265.23 g/mol
LogP4.12
Rot. Bonds3

About (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine

(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 11242540) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID11242540
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/Oc2ccccc2)c1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-6-4-5-11(9-12)10-18-19-13-7-2-1-3-8-13/h1-10H/b18-10+
InChIKeyGIWFVUIOOYPWGX-VCHYOVAHSA-N
XLogP4.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 54.12
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-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine (CID 11242540) is (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1cccc(/C=N/Oc2ccccc2)c1.
What is the InChIKey of (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is GIWFVUIOOYPWGX-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)12-6-4-5-11(9-12)10-18-19-13-7-2-1-3-8-13/h1-10H/b18-10+.
What are the key properties of (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine?
(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 265.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 11242540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).