(E)-3-bromo-N-methylbut-2-enimidoyl fluoride

C5H7BrFN — CID 170267019

IUPAC(E)-3-bromo-N-methylbut-2-enimidoyl fluoride
SMILESC/N=C(F)/C=C(\C)Br
InChIInChI=1S/C5H7BrFN/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3+,8-5-
InChIKeyJHKJRLGENYNTGQ-LHOHZTISSA-N
MW180.02 g/mol
LogP2.28
Rot. Bonds1

About (E)-3-bromo-N-methylbut-2-enimidoyl fluoride

(E)-3-bromo-N-methylbut-2-enimidoyl fluoride (PubChem CID 170267019) has the molecular formula C5H7BrFN and a molecular weight of 180.02 g/mol. Its IUPAC name is (E)-3-bromo-N-methylbut-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-3-bromo-N-methylbut-2-enimidoyl fluoride
PubChem CID170267019
Molecular FormulaC5H7BrFN
Molecular Weight180.02 g/mol
Exact Mass178.97
IUPAC Name(E)-3-bromo-N-methylbut-2-enimidoyl fluoride
SMILESC/N=C(F)/C=C(\C)Br
InChIInChI=1S/C5H7BrFN/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3+,8-5-
InChIKeyJHKJRLGENYNTGQ-LHOHZTISSA-N
XLogP2.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 52.28
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 (E)-3-bromo-N-methylbut-2-enimidoyl fluoride?
The IUPAC name of (E)-3-bromo-N-methylbut-2-enimidoyl fluoride (CID 170267019) is (E)-3-bromo-N-methylbut-2-enimidoyl fluoride.
What is the SMILES notation for (E)-3-bromo-N-methylbut-2-enimidoyl fluoride?
The canonical SMILES for (E)-3-bromo-N-methylbut-2-enimidoyl fluoride is C/N=C(F)/C=C(\C)Br.
What is the InChIKey of (E)-3-bromo-N-methylbut-2-enimidoyl fluoride?
The InChIKey is JHKJRLGENYNTGQ-LHOHZTISSA-N. The full InChI is InChI=1S/C5H7BrFN/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3+,8-5-.
What are the key properties of (E)-3-bromo-N-methylbut-2-enimidoyl fluoride?
(E)-3-bromo-N-methylbut-2-enimidoyl fluoride has a molecular weight of 180.02 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromo-N-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 170267019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).