1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine

C16H11Cl3F3NO — CID 123195417

IUPAC1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine
SMILESCC(=NOCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H11Cl3F3NO/c1-9(11-7-10(17)5-6-13(11)16(20,21)22)23-24-8-12-14(18)3-2-4-15(12)19/h2-7H,8H2,1H3
InChIKeyGCLPKUIYLAYULT-UHFFFAOYSA-N
MW396.62 g/mol
LogP6.61
Rot. Bonds4

About 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine

1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine (PubChem CID 123195417) has the molecular formula C16H11Cl3F3NO and a molecular weight of 396.62 g/mol. Its IUPAC name is 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine
PubChem CID123195417
Molecular FormulaC16H11Cl3F3NO
Molecular Weight396.62 g/mol
Exact Mass394.99
IUPAC Name1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine
SMILESCC(=NOCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H11Cl3F3NO/c1-9(11-7-10(17)5-6-13(11)16(20,21)22)23-24-8-12-14(18)3-2-4-15(12)19/h2-7H,8H2,1H3
InChIKeyGCLPKUIYLAYULT-UHFFFAOYSA-N
XLogP6.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 56.61
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'}

Analyze 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 88957299
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine
CID 88957471
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
CID 59021225
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine
CID 88957472
CID 172942148
CID 172942148
CID 172981678
CID 172981678
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methylphenoxy)ethanimine
CID 123685035
(Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine
CID 123826355
N-[4-chloro-2-[(E)-N-[(2-chlorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 59021109
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine
CID 88957441
CID 172986959
CID 172986959

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
The IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine (CID 123195417) is 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine.
What is the SMILES notation for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
The canonical SMILES for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine is CC(=NOCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
The InChIKey is GCLPKUIYLAYULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3F3NO/c1-9(11-7-10(17)5-6-13(11)16(20,21)22)23-24-8-12-14(18)3-2-4-15(12)19/h2-7H,8H2,1H3.
What are the key properties of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine has a molecular weight of 396.62 g/mol, XLogP of 6.61, 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-[(2,6-dichlorophenyl)methoxy]ethanimine is sourced from PubChem (CID 123195417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).