(Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine

C14H9Br2F2NO — CID 90926642

IUPAC(Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine
SMILESCc1c(Br)cc(/C=N\Oc2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C14H9Br2F2NO/c1-8-13(15)2-9(3-14(8)16)7-19-20-12-5-10(17)4-11(18)6-12/h2-7H,1H3/b19-7-
InChIKeyCMLKBEWJHLSXEO-GXHLCREISA-N
MW405.04 g/mol
LogP5.21
Rot. Bonds3

About (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine

(Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine (PubChem CID 90926642) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine.

Molecular Properties

Compound Name(Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine
PubChem CID90926642
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC Name(Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine
SMILESCc1c(Br)cc(/C=N\Oc2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C14H9Br2F2NO/c1-8-13(15)2-9(3-14(8)16)7-19-20-12-5-10(17)4-11(18)6-12/h2-7H,1H3/b19-7-
InChIKeyCMLKBEWJHLSXEO-GXHLCREISA-N
XLogP5.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.04
LogP ≤ 55.21
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

2,6-dibromo-4-[(E)-(3,5-difluorophenoxy)iminomethyl]phenol
CID 135507486
(E)-1-(3,5-dibromo-4-methylphenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
CID 59021916
(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine
CID 59021921
(E)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine
CID 59021937
(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine
CID 90999728
(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
CID 91318416
2,6-Dibromo-4-[(3,5-difluorophenoxy)iminomethyl]phenol
CID 136652784
(E)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine
CID 59021913
(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine
CID 59021940
(Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine
CID 90819920
(Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine
CID 91153583

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine?
The IUPAC name of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine (CID 90926642) is (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine.
What is the SMILES notation for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine?
The canonical SMILES for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine is Cc1c(Br)cc(/C=N\Oc2cc(F)cc(F)c2)cc1Br.
What is the InChIKey of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine?
The InChIKey is CMLKBEWJHLSXEO-GXHLCREISA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c1-8-13(15)2-9(3-14(8)16)7-19-20-12-5-10(17)4-11(18)6-12/h2-7H,1H3/b19-7-.
What are the key properties of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine?
(Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine has a molecular weight of 405.04 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-difluorophenoxy)methanimine is sourced from PubChem (CID 90926642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).