(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine

C16H12ClF3N2O3 — CID 59021225

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O3/c1-10(14-8-12(17)4-7-15(14)16(18,19)20)21-25-9-11-2-5-13(6-3-11)22(23)24/h2-8H,9H2,1H3/b21-10+
InChIKeyCJLUTDIKNFOVEL-UFFVCSGVSA-N
MW372.73 g/mol
LogP5.21
Rot. Bonds5

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine (PubChem CID 59021225) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
PubChem CID59021225
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O3/c1-10(14-8-12(17)4-7-15(14)16(18,19)20)21-25-9-11-2-5-13(6-3-11)22(23)24/h2-8H,9H2,1H3/b21-10+
InChIKeyCJLUTDIKNFOVEL-UFFVCSGVSA-N
XLogP5.21
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitrophenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine (CID 59021225) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine is C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine?
The InChIKey is CJLUTDIKNFOVEL-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c1-10(14-8-12(17)4-7-15(14)16(18,19)20)21-25-9-11-2-5-13(6-3-11)22(23)24/h2-8H,9H2,1H3/b21-10+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine has a molecular weight of 372.73 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine is sourced from PubChem (CID 59021225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).