N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine

C14H10Cl2FNO — CID 76856168

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NOCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H10Cl2FNO/c15-13-2-1-3-14(16)12(13)9-19-18-8-10-4-6-11(17)7-5-10/h1-8H,9H2
InChIKeyJKXUALBJDYLEKI-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.68
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine

N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine (PubChem CID 76856168) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
PubChem CID76856168
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NOCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H10Cl2FNO/c15-13-2-1-3-14(16)12(13)9-19-18-8-10-4-6-11(17)7-5-10/h1-8H,9H2
InChIKeyJKXUALBJDYLEKI-UHFFFAOYSA-N
XLogP4.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.68
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-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856157
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
(NZ)-N-[[1-[3-[4-[(E)-(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135597270
(E)-1-[1-[3-[4-[(E)-(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]-N-methoxymethanimine dibromide
CID 10077591
4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663915
N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856145
(2,6-dichlorophenyl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926002
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
CID 75265021
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
CID 58685118
(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
CID 60523382
(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
CID 134051370

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine (CID 76856168) is N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine is Fc1ccc(C=NOCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The InChIKey is JKXUALBJDYLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-13-2-1-3-14(16)12(13)9-19-18-8-10-4-6-11(17)7-5-10/h1-8H,9H2.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine has a molecular weight of 298.14 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 76856168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).