N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride

C4H5Cl2FN2 — CID 147498087

IUPACN'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride
SMILESC/C(F)=C(/Cl)N=C(N)Cl
InChIInChI=1S/C4H5Cl2FN2/c1-2(7)3(5)9-4(6)8/h1H3,(H2,8,9)/b3-2+
InChIKeyFGWKVGKRAWWMMY-NSCUHMNNSA-N
MW171.00 g/mol
LogP1.94
Rot. Bonds1

About N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride

N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride (PubChem CID 147498087) has the molecular formula C4H5Cl2FN2 and a molecular weight of 171.00 g/mol. Its IUPAC name is N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride.

Molecular Properties

Compound NameN'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride
PubChem CID147498087
Molecular FormulaC4H5Cl2FN2
Molecular Weight171.00 g/mol
Exact Mass169.98
IUPAC NameN'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride
SMILESC/C(F)=C(/Cl)N=C(N)Cl
InChIInChI=1S/C4H5Cl2FN2/c1-2(7)3(5)9-4(6)8/h1H3,(H2,8,9)/b3-2+
InChIKeyFGWKVGKRAWWMMY-NSCUHMNNSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 51.94
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride?
The IUPAC name of N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride (CID 147498087) is N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride.
What is the SMILES notation for N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride?
The canonical SMILES for N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride is C/C(F)=C(/Cl)N=C(N)Cl.
What is the InChIKey of N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride?
The InChIKey is FGWKVGKRAWWMMY-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H5Cl2FN2/c1-2(7)3(5)9-4(6)8/h1H3,(H2,8,9)/b3-2+.
What are the key properties of N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride?
N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride has a molecular weight of 171.00 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-chloro-2-fluoroprop-1-enyl]carbamimidoyl chloride is sourced from PubChem (CID 147498087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).