N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine

C14H10BrF2NO — CID 76856145

IUPACN-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NOCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrF2NO/c15-12-4-3-11(14(17)7-12)9-19-18-8-10-1-5-13(16)6-2-10/h1-8H,9H2
InChIKeyXAUPBYFSENXPBQ-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.28
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine

N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine (PubChem CID 76856145) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
PubChem CID76856145
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NOCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrF2NO/c15-12-4-3-11(14(17)7-12)9-19-18-8-10-1-5-13(16)6-2-10/h1-8H,9H2
InChIKeyXAUPBYFSENXPBQ-UHFFFAOYSA-N
XLogP4.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.28
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

4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856168
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide
CID 2108303
3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
CID 58685118
CID 88874839
CID 88874839
4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline
CID 66554637
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
CID 75265021
(2,4-difluorophenyl)methyl nitrite
CID 174767305
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 55027326
(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
CID 60523382

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine (CID 76856145) is N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine is Fc1ccc(C=NOCc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The InChIKey is XAUPBYFSENXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-12-4-3-11(14(17)7-12)9-19-18-8-10-1-5-13(16)6-2-10/h1-8H,9H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine has a molecular weight of 326.14 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 76856145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).