(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine

C17H14Cl2F3NO — CID 88957446

IUPAC(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
SMILESCCC/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H14Cl2F3NO/c1-2-3-16(23-24-13-7-4-11(18)5-8-13)14-10-12(19)6-9-15(14)17(20,21)22/h4-10H,2-3H2,1H3/b23-16+
InChIKeyJVJWOEVPOJQQFV-XQNSMLJCSA-N
MW376.21 g/mol
LogP6.60
Rot. Bonds5

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

(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine (PubChem CID 88957446) has the molecular formula C17H14Cl2F3NO and a molecular weight of 376.21 g/mol. Its IUPAC name is (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
PubChem CID88957446
Molecular FormulaC17H14Cl2F3NO
Molecular Weight376.21 g/mol
Exact Mass375.04
IUPAC Name(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
SMILESCCC/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H14Cl2F3NO/c1-2-3-16(23-24-13-7-4-11(18)5-8-13)14-10-12(19)6-9-15(14)17(20,21)22/h4-10H,2-3H2,1H3/b23-16+
InChIKeyJVJWOEVPOJQQFV-XQNSMLJCSA-N
XLogP6.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.21
LogP ≤ 56.60
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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Related Compounds

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine
CID 59021116
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021145
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine
CID 59021179
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 59021180
(E)-N-[(2-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
CID 59021211
(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]-2-methylpropan-1-imine
CID 59021223
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
CID 59021234
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021242
(E)-N-[(3-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
CID 59021261
1-[4-chloro-2-[(E)-N-(4-fluorophenoxy)-C-methylcarbonimidoyl]phenyl]propan-2-one
CID 59826906
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-fluorophenoxy)-2-methylpropan-1-imine
CID 72491683
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 72491710

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
The IUPAC name of (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine (CID 88957446) is (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine.
What is the SMILES notation for (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
The canonical SMILES for (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine is CCC/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
The InChIKey is JVJWOEVPOJQQFV-XQNSMLJCSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO/c1-2-3-16(23-24-13-7-4-11(18)5-8-13)14-10-12(19)6-9-15(14)17(20,21)22/h4-10H,2-3H2,1H3/b23-16+.
What are the key properties of (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine has a molecular weight of 376.21 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine is sourced from PubChem (CID 88957446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).