2-(3-fluorophenyl)ethanimidamide;hydrochloride

C8H10ClFN2 — CID 42614313

IUPAC2-(3-fluorophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1cccc(F)c1
InChIInChI=1S/C8H9FN2.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKeyBBFVSHCCQYWKSH-UHFFFAOYSA-N
MW188.63 g/mol
LogP1.73
Rot. Bonds2

About 2-(3-fluorophenyl)ethanimidamide;hydrochloride

2-(3-fluorophenyl)ethanimidamide;hydrochloride (PubChem CID 42614313) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 2-(3-fluorophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)ethanimidamide;hydrochloride
PubChem CID42614313
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name2-(3-fluorophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1cccc(F)c1
InChIInChI=1S/C8H9FN2.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKeyBBFVSHCCQYWKSH-UHFFFAOYSA-N
XLogP1.73
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(3-fluorophenyl)ethanimidamide;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)ethanimidamide;hydrochloride (CID 42614313) is 2-(3-fluorophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)ethanimidamide;hydrochloride?
The InChIKey is BBFVSHCCQYWKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H.
What are the key properties of 2-(3-fluorophenyl)ethanimidamide;hydrochloride?
2-(3-fluorophenyl)ethanimidamide;hydrochloride has a molecular weight of 188.63 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 42614313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).