N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride

C5H8ClFN2 — CID 166762630

IUPACN-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride
SMILESC/N=C(\Cl)N/C(C)=C\F
InChIInChI=1S/C5H8ClFN2/c1-4(3-7)9-5(6)8-2/h3H,1-2H3,(H,8,9)/b4-3-
InChIKeyNHXHAVAOXGQPLV-ARJAWSKDSA-N
MW150.58 g/mol
LogP1.63
Rot. Bonds1

About N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride

N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride (PubChem CID 166762630) has the molecular formula C5H8ClFN2 and a molecular weight of 150.58 g/mol. Its IUPAC name is N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride
PubChem CID166762630
Molecular FormulaC5H8ClFN2
Molecular Weight150.58 g/mol
Exact Mass150.04
IUPAC NameN-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride
SMILESC/N=C(\Cl)N/C(C)=C\F
InChIInChI=1S/C5H8ClFN2/c1-4(3-7)9-5(6)8-2/h3H,1-2H3,(H,8,9)/b4-3-
InChIKeyNHXHAVAOXGQPLV-ARJAWSKDSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.58
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
The IUPAC name of N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride (CID 166762630) is N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride.
What is the SMILES notation for N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
The canonical SMILES for N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride is C/N=C(\Cl)N/C(C)=C\F.
What is the InChIKey of N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
The InChIKey is NHXHAVAOXGQPLV-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8ClFN2/c1-4(3-7)9-5(6)8-2/h3H,1-2H3,(H,8,9)/b4-3-.
What are the key properties of N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride has a molecular weight of 150.58 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-fluoroprop-1-en-2-yl]-N'-methylcarbamimidoyl chloride is sourced from PubChem (CID 166762630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).