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

C6H10ClFN2 — CID 147574898

IUPACN-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride
SMILESCC/C(=C/F)N/C(Cl)=N/C
InChIInChI=1S/C6H10ClFN2/c1-3-5(4-8)10-6(7)9-2/h4H,3H2,1-2H3,(H,9,10)/b5-4-
InChIKeyFVGUGJUBSKHZJB-PLNGDYQASA-N
MW164.61 g/mol
LogP2.02
Rot. Bonds2

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

N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride (PubChem CID 147574898) has the molecular formula C6H10ClFN2 and a molecular weight of 164.61 g/mol. Its IUPAC name is N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride
PubChem CID147574898
Molecular FormulaC6H10ClFN2
Molecular Weight164.61 g/mol
Exact Mass164.05
IUPAC NameN-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride
SMILESCC/C(=C/F)N/C(Cl)=N/C
InChIInChI=1S/C6H10ClFN2/c1-3-5(4-8)10-6(7)9-2/h4H,3H2,1-2H3,(H,9,10)/b5-4-
InChIKeyFVGUGJUBSKHZJB-PLNGDYQASA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.61
LogP ≤ 52.02
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-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
The IUPAC name of N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride (CID 147574898) is N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride.
What is the SMILES notation for N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
The canonical SMILES for N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride is CC/C(=C/F)N/C(Cl)=N/C.
What is the InChIKey of N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
The InChIKey is FVGUGJUBSKHZJB-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10ClFN2/c1-3-5(4-8)10-6(7)9-2/h4H,3H2,1-2H3,(H,9,10)/b5-4-.
What are the key properties of N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride?
N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride has a molecular weight of 164.61 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-fluorobut-1-en-2-yl]-N'-methylcarbamimidoyl chloride is sourced from PubChem (CID 147574898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).