1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine

C15H9Cl3F3NO — CID 123277387

IUPAC1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
SMILESFC(F)(F)c1ccc(Cl)cc1C=NOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3F3NO/c16-11-3-4-13(15(19,20)21)10(5-11)7-22-23-8-9-1-2-12(17)6-14(9)18/h1-7H,8H2
InChIKeyVHGUKPXMMRDBNH-UHFFFAOYSA-N
MW382.60 g/mol
LogP6.22
Rot. Bonds4

About 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine

1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine (PubChem CID 123277387) has the molecular formula C15H9Cl3F3NO and a molecular weight of 382.60 g/mol. Its IUPAC name is 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
PubChem CID123277387
Molecular FormulaC15H9Cl3F3NO
Molecular Weight382.60 g/mol
Exact Mass380.97
IUPAC Name1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
SMILESFC(F)(F)c1ccc(Cl)cc1C=NOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3F3NO/c16-11-3-4-13(15(19,20)21)10(5-11)7-22-23-8-9-1-2-12(17)6-14(9)18/h1-7H,8H2
InChIKeyVHGUKPXMMRDBNH-UHFFFAOYSA-N
XLogP6.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 56.22
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

N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
CID 2804487
(Z)-1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 52891529
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 95704521
O-benzyl 4-chlorobenzaldoxime
CID 73110771
O-benzyl 3-chlorobenzaldoxime
CID 75852286
O-benzyl 2-chlorobenzaldoxime
CID 75981000
(E)-N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
CID 9583452
8-chloro-4-(3-chloro-4-fluorophenyl)-1H-2,3-benzoxazine
CID 76308891
7-chloro-4-(3-chloro-4-fluorophenyl)-1H-2,3-benzoxazine
CID 76319824
6-Chloro-4-(3-chloro-4-fluorophenyl)-1H-2,3-benzoxazine
CID 76334283
(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

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine (CID 123277387) is 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine.
What is the SMILES notation for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The canonical SMILES for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine is FC(F)(F)c1ccc(Cl)cc1C=NOCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The InChIKey is VHGUKPXMMRDBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3F3NO/c16-11-3-4-13(15(19,20)21)10(5-11)7-22-23-8-9-1-2-12(17)6-14(9)18/h1-7H,8H2.
What are the key properties of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine has a molecular weight of 382.60 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine is sourced from PubChem (CID 123277387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).