(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine

C17H14ClF4NO — CID 59021116

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine
SMILESCC(C)/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H14ClF4NO/c1-10(2)16(23-24-13-6-4-12(19)5-7-13)14-9-11(18)3-8-15(14)17(20,21)22/h3-10H,1-2H3/b23-16+
InChIKeyJZJLTPWFCUQBBG-XQNSMLJCSA-N
MW359.75 g/mol
LogP5.94
Rot. Bonds4

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine (PubChem CID 59021116) has the molecular formula C17H14ClF4NO and a molecular weight of 359.75 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine
PubChem CID59021116
Molecular FormulaC17H14ClF4NO
Molecular Weight359.75 g/mol
Exact Mass359.07
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine
SMILESCC(C)/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H14ClF4NO/c1-10(2)16(23-24-13-6-4-12(19)5-7-13)14-9-11(18)3-8-15(14)17(20,21)22/h3-10H,1-2H3/b23-16+
InChIKeyJZJLTPWFCUQBBG-XQNSMLJCSA-N
XLogP5.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.75
LogP ≤ 55.94
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-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine (CID 59021116) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine is CC(C)/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine?
The InChIKey is JZJLTPWFCUQBBG-XQNSMLJCSA-N. The full InChI is InChI=1S/C17H14ClF4NO/c1-10(2)16(23-24-13-6-4-12(19)5-7-13)14-9-11(18)3-8-15(14)17(20,21)22/h3-10H,1-2H3/b23-16+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine has a molecular weight of 359.75 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine is sourced from PubChem (CID 59021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).