N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine

C5H5BrFN — CID 123141561

IUPACN-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine
SMILESC=C(F)C=NC(=C)Br
InChIInChI=1S/C5H5BrFN/c1-4(7)3-8-5(2)6/h3H,1-2H2
InChIKeyGDTBHUFYRNLUFG-UHFFFAOYSA-N
MW178.00 g/mol
LogP2.41
Rot. Bonds2

About N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine

N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine (PubChem CID 123141561) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine
PubChem CID123141561
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC NameN-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine
SMILESC=C(F)C=NC(=C)Br
InChIInChI=1S/C5H5BrFN/c1-4(7)3-8-5(2)6/h3H,1-2H2
InChIKeyGDTBHUFYRNLUFG-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine?
The IUPAC name of N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine (CID 123141561) is N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine.
What is the SMILES notation for N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine?
The canonical SMILES for N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine is C=C(F)C=NC(=C)Br.
What is the InChIKey of N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine?
The InChIKey is GDTBHUFYRNLUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c1-4(7)3-8-5(2)6/h3H,1-2H2.
What are the key properties of N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine?
N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine has a molecular weight of 178.00 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine is sourced from PubChem (CID 123141561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).