1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine

C14H7BrF5NO — CID 101216654

IUPAC1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESCOc1ccc(Br)cc1/C=N/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H7BrF5NO/c1-22-8-3-2-7(15)4-6(8)5-21-14-12(19)10(17)9(16)11(18)13(14)20/h2-5H,1H3/b21-5+
InChIKeyUWIRBWTZJWSFTH-IGCPIRJNSA-N
MW380.11 g/mol
LogP4.90
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine

1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 101216654) has the molecular formula C14H7BrF5NO and a molecular weight of 380.11 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID101216654
Molecular FormulaC14H7BrF5NO
Molecular Weight380.11 g/mol
Exact Mass378.96
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESCOc1ccc(Br)cc1/C=N/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H7BrF5NO/c1-22-8-3-2-7(15)4-6(8)5-21-14-12(19)10(17)9(16)11(18)13(14)20/h2-5H,1H3/b21-5+
InChIKeyUWIRBWTZJWSFTH-IGCPIRJNSA-N
XLogP4.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)methanimine
CID 1040534
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504942
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 23854347
2-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 171354147
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
4-bromo-2-(3-bromo-2-methylprop-1-enyl)-1-methoxybenzene
CID 79323542
tert-butyl N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]carbamate
CID 6909993
[(5-bromo-2-methoxyphenyl)methylideneamino] 4-methylbenzoate
CID 4071828
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 101216654) is 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine is COc1ccc(Br)cc1/C=N/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is UWIRBWTZJWSFTH-IGCPIRJNSA-N. The full InChI is InChI=1S/C14H7BrF5NO/c1-22-8-3-2-7(15)4-6(8)5-21-14-12(19)10(17)9(16)11(18)13(14)20/h2-5H,1H3/b21-5+.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 380.11 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 101216654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).