N-methylprop-2-enimidoyl fluoride

C4H6FN — CID 164561964

IUPACN-methylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C
InChIInChI=1S/C4H6FN/c1-3-4(5)6-2/h3H,1H2,2H3/b6-4-
InChIKeyQIEBUIMCPACDRY-XQRVVYSFSA-N
MW87.10 g/mol
LogP1.17
Rot. Bonds1

About N-methylprop-2-enimidoyl fluoride

N-methylprop-2-enimidoyl fluoride (PubChem CID 164561964) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is N-methylprop-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-methylprop-2-enimidoyl fluoride
PubChem CID164561964
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC NameN-methylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C
InChIInChI=1S/C4H6FN/c1-3-4(5)6-2/h3H,1H2,2H3/b6-4-
InChIKeyQIEBUIMCPACDRY-XQRVVYSFSA-N
XLogP1.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 51.17
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-methylprop-2-enimidoyl fluoride?
The IUPAC name of N-methylprop-2-enimidoyl fluoride (CID 164561964) is N-methylprop-2-enimidoyl fluoride.
What is the SMILES notation for N-methylprop-2-enimidoyl fluoride?
The canonical SMILES for N-methylprop-2-enimidoyl fluoride is C=C/C(F)=N/C.
What is the InChIKey of N-methylprop-2-enimidoyl fluoride?
The InChIKey is QIEBUIMCPACDRY-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H6FN/c1-3-4(5)6-2/h3H,1H2,2H3/b6-4-.
What are the key properties of N-methylprop-2-enimidoyl fluoride?
N-methylprop-2-enimidoyl fluoride has a molecular weight of 87.10 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-enimidoyl fluoride is sourced from PubChem (CID 164561964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).