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

C16H12Cl2F3NO — CID 88957258

IUPAC(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OCc1ccc(Cl)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO/c1-10(22-23-9-11-2-4-12(17)5-3-11)14-8-13(18)6-7-15(14)16(19,20)21/h2-8H,9H2,1H3/b22-10+
InChIKeyPLVORKLAPCUKHY-LSHDLFTRSA-N
MW362.18 g/mol
LogP5.95
Rot. Bonds4

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

(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 88957258) has the molecular formula C16H12Cl2F3NO and a molecular weight of 362.18 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
PubChem CID88957258
Molecular FormulaC16H12Cl2F3NO
Molecular Weight362.18 g/mol
Exact Mass361.02
IUPAC Name(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OCc1ccc(Cl)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO/c1-10(22-23-9-11-2-4-12(17)5-3-11)14-8-13(18)6-7-15(14)16(19,20)21/h2-8H,9H2,1H3/b22-10+
InChIKeyPLVORKLAPCUKHY-LSHDLFTRSA-N
XLogP5.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.18
LogP ≤ 55.95
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-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine (CID 88957258) is (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine is C/C(=N\OCc1ccc(Cl)cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is PLVORKLAPCUKHY-LSHDLFTRSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO/c1-10(22-23-9-11-2-4-12(17)5-3-11)14-8-13(18)6-7-15(14)16(19,20)21/h2-8H,9H2,1H3/b22-10+.
What are the key properties of (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine?
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 362.18 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 88957258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).