N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride

C8H10Cl2FN — CID 123749367

IUPACN-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride
SMILESCC=C(F)C(Cl)=NC(Cl)=CCC
InChIInChI=1S/C8H10Cl2FN/c1-3-5-7(9)12-8(10)6(11)4-2/h4-5H,3H2,1-2H3
InChIKeyRRYCYHDZQIBZHO-UHFFFAOYSA-N
MW210.08 g/mol
LogP3.99
Rot. Bonds3

About N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride

N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride (PubChem CID 123749367) has the molecular formula C8H10Cl2FN and a molecular weight of 210.08 g/mol. Its IUPAC name is N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride.

Molecular Properties

Compound NameN-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride
PubChem CID123749367
Molecular FormulaC8H10Cl2FN
Molecular Weight210.08 g/mol
Exact Mass209.02
IUPAC NameN-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride
SMILESCC=C(F)C(Cl)=NC(Cl)=CCC
InChIInChI=1S/C8H10Cl2FN/c1-3-5-7(9)12-8(10)6(11)4-2/h4-5H,3H2,1-2H3
InChIKeyRRYCYHDZQIBZHO-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride?
The IUPAC name of N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride (CID 123749367) is N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride.
What is the SMILES notation for N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride?
The canonical SMILES for N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride is CC=C(F)C(Cl)=NC(Cl)=CCC.
What is the InChIKey of N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride?
The InChIKey is RRYCYHDZQIBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2FN/c1-3-5-7(9)12-8(10)6(11)4-2/h4-5H,3H2,1-2H3.
What are the key properties of N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride?
N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride has a molecular weight of 210.08 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobut-1-enyl)-2-fluorobut-2-enimidoyl chloride is sourced from PubChem (CID 123749367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).