N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine

C11H11BrFN — CID 162381176

IUPACN-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine
SMILESC=Nc1cc(Br)c(F)cc1/C(C)=C\C
InChIInChI=1S/C11H11BrFN/c1-4-7(2)8-5-10(13)9(12)6-11(8)14-3/h4-6H,3H2,1-2H3/b7-4-
InChIKeyCEPSUZJTWJVEMY-DAXSKMNVSA-N
MW256.12 g/mol
LogP4.34
Rot. Bonds2

About N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine

N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine (PubChem CID 162381176) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine.

Molecular Properties

Compound NameN-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine
PubChem CID162381176
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC NameN-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine
SMILESC=Nc1cc(Br)c(F)cc1/C(C)=C\C
InChIInChI=1S/C11H11BrFN/c1-4-7(2)8-5-10(13)9(12)6-11(8)14-3/h4-6H,3H2,1-2H3/b7-4-
InChIKeyCEPSUZJTWJVEMY-DAXSKMNVSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine?
The IUPAC name of N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine (CID 162381176) is N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine.
What is the SMILES notation for N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine?
The canonical SMILES for N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine is C=Nc1cc(Br)c(F)cc1/C(C)=C\C.
What is the InChIKey of N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine?
The InChIKey is CEPSUZJTWJVEMY-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-4-7(2)8-5-10(13)9(12)6-11(8)14-3/h4-6H,3H2,1-2H3/b7-4-.
What are the key properties of N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine?
N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine has a molecular weight of 256.12 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[(Z)-but-2-en-2-yl]-4-fluorophenyl]methanimine is sourced from PubChem (CID 162381176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).