2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide

C8H6Cl2F2N2 — CID 169365262

IUPAC2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(F)cc(Cl)cc1F
InChIInChI=1S/C8H6Cl2F2N2/c9-3-7(13)14-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H2,13,14)
InChIKeyNBQYKKNCERZOCA-UHFFFAOYSA-N
MW239.05 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide

2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide (PubChem CID 169365262) has the molecular formula C8H6Cl2F2N2 and a molecular weight of 239.05 g/mol. Its IUPAC name is 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
PubChem CID169365262
Molecular FormulaC8H6Cl2F2N2
Molecular Weight239.05 g/mol
Exact Mass237.99
IUPAC Name2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(F)cc(Cl)cc1F
InChIInChI=1S/C8H6Cl2F2N2/c9-3-7(13)14-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H2,13,14)
InChIKeyNBQYKKNCERZOCA-UHFFFAOYSA-N
XLogP2.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.05
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide (CID 169365262) is 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide is N/C(CCl)=N/c1c(F)cc(Cl)cc1F.
What is the InChIKey of 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide?
The InChIKey is NBQYKKNCERZOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2N2/c9-3-7(13)14-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide?
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide has a molecular weight of 239.05 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide is sourced from PubChem (CID 169365262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).