N-methylbut-2-enimidoyl fluoride

C5H8FN — CID 123871369

IUPACN-methylbut-2-enimidoyl fluoride
SMILESCC=C/C(F)=N/C
InChIInChI=1S/C5H8FN/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3?,7-5-
InChIKeyVCFBLZPUEXRJNG-YFPBZNGSSA-N
MW101.12 g/mol
LogP1.56
Rot. Bonds1

About N-methylbut-2-enimidoyl fluoride

N-methylbut-2-enimidoyl fluoride (PubChem CID 123871369) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-methylbut-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-methylbut-2-enimidoyl fluoride
PubChem CID123871369
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-methylbut-2-enimidoyl fluoride
SMILESCC=C/C(F)=N/C
InChIInChI=1S/C5H8FN/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3?,7-5-
InChIKeyVCFBLZPUEXRJNG-YFPBZNGSSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.56
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-methylbut-2-enimidoyl fluoride?
The IUPAC name of N-methylbut-2-enimidoyl fluoride (CID 123871369) is N-methylbut-2-enimidoyl fluoride.
What is the SMILES notation for N-methylbut-2-enimidoyl fluoride?
The canonical SMILES for N-methylbut-2-enimidoyl fluoride is CC=C/C(F)=N/C.
What is the InChIKey of N-methylbut-2-enimidoyl fluoride?
The InChIKey is VCFBLZPUEXRJNG-YFPBZNGSSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3?,7-5-.
What are the key properties of N-methylbut-2-enimidoyl fluoride?
N-methylbut-2-enimidoyl fluoride has a molecular weight of 101.12 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 123871369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).