2-(3-chloro-4-fluorophenoxy)ethanimidamide

C8H8ClFN2O — CID 63878137

IUPAC2-(3-chloro-4-fluorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H3,11,12)
InChIKeyVWRJAPYDOMUOJF-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.79
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)ethanimidamide

2-(3-chloro-4-fluorophenoxy)ethanimidamide (PubChem CID 63878137) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)ethanimidamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)ethanimidamide
PubChem CID63878137
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name2-(3-chloro-4-fluorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H3,11,12)
InChIKeyVWRJAPYDOMUOJF-UHFFFAOYSA-N
XLogP1.79
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-fluorophenoxy)ethanimidamide
CID 83234459
2-(4-chloro-3-methylphenoxy)ethanimidamide
CID 43185947
4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
CID 63880209
2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 103038181
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
CID 130701896
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(3-chloro-4-fluorophenoxy)butanimidamide
CID 63878136
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
2-[4-(trifluoromethoxy)phenoxy]ethanimidamide
CID 83396669
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)ethanimidamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)ethanimidamide (CID 63878137) is 2-(3-chloro-4-fluorophenoxy)ethanimidamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)ethanimidamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)ethanimidamide is [H]/N=C(\N)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)ethanimidamide?
The InChIKey is VWRJAPYDOMUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H3,11,12).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)ethanimidamide?
2-(3-chloro-4-fluorophenoxy)ethanimidamide has a molecular weight of 202.62 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)ethanimidamide is sourced from PubChem (CID 63878137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).