1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine

C19H15Cl3F3NO2 — CID 139893279

IUPAC1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine
SMILESCC(ON=Cc1ccc(OCC=C(Cl)Cl)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15Cl3F3NO2/c1-12(13-3-2-4-15(9-13)19(23,24)25)28-26-11-14-5-6-16(10-17(14)20)27-8-7-18(21)22/h2-7,9-12H,8H2,1H3
InChIKeyOETBOJOGBYWCFX-UHFFFAOYSA-N
MW452.69 g/mol
LogP7.17
Rot. Bonds7

About 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine

1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine (PubChem CID 139893279) has the molecular formula C19H15Cl3F3NO2 and a molecular weight of 452.69 g/mol. Its IUPAC name is 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine.

Molecular Properties

Compound Name1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine
PubChem CID139893279
Molecular FormulaC19H15Cl3F3NO2
Molecular Weight452.69 g/mol
Exact Mass451.01
IUPAC Name1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine
SMILESCC(ON=Cc1ccc(OCC=C(Cl)Cl)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15Cl3F3NO2/c1-12(13-3-2-4-15(9-13)19(23,24)25)28-26-11-14-5-6-16(10-17(14)20)27-8-7-18(21)22/h2-7,9-12H,8H2,1H3
InChIKeyOETBOJOGBYWCFX-UHFFFAOYSA-N
XLogP7.17
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 172966190
(1E)-1-methoxyimino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]propan-2-one
CID 59868630
(2E)-2-methoxyimino-N-methyl-2-[2-[(Z)-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]iminomethyl]phenyl]acetamide
CID 101019202
(2E)-2-methoxyimino-N-methyl-2-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 21338870
(E)-N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 18430098
(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine
CID 18429789
ethyl 1,3-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]pyrazole-5-carboxylate
CID 54145058
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466411
2-[2-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]-3-(trifluoromethyl)pyridine
CID 142242953
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
CID 135758103

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
The IUPAC name of 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine (CID 139893279) is 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine.
What is the SMILES notation for 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
The canonical SMILES for 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine is CC(ON=Cc1ccc(OCC=C(Cl)Cl)cc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
The InChIKey is OETBOJOGBYWCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3F3NO2/c1-12(13-3-2-4-15(9-13)19(23,24)25)28-26-11-14-5-6-16(10-17(14)20)27-8-7-18(21)22/h2-7,9-12H,8H2,1H3.
What are the key properties of 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine has a molecular weight of 452.69 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine is sourced from PubChem (CID 139893279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).