N'-benzyl-2-fluoroethanimidamide;hydrochloride

C9H12ClFN2 — CID 54758327

IUPACN'-benzyl-2-fluoroethanimidamide;hydrochloride
SMILESCl.N/C(CF)=N/Cc1ccccc1
InChIInChI=1S/C9H11FN2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H2,11,12);1H
InChIKeyUIUOLFXCUMBDKA-UHFFFAOYSA-N
MW202.66 g/mol
LogP1.94
Rot. Bonds3

About N'-benzyl-2-fluoroethanimidamide;hydrochloride

N'-benzyl-2-fluoroethanimidamide;hydrochloride (PubChem CID 54758327) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is N'-benzyl-2-fluoroethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-2-fluoroethanimidamide;hydrochloride
PubChem CID54758327
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC NameN'-benzyl-2-fluoroethanimidamide;hydrochloride
SMILESCl.N/C(CF)=N/Cc1ccccc1
InChIInChI=1S/C9H11FN2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H2,11,12);1H
InChIKeyUIUOLFXCUMBDKA-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 51.94
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-2-fluoroethanimidamide;hydrochloride?
The IUPAC name of N'-benzyl-2-fluoroethanimidamide;hydrochloride (CID 54758327) is N'-benzyl-2-fluoroethanimidamide;hydrochloride.
What is the SMILES notation for N'-benzyl-2-fluoroethanimidamide;hydrochloride?
The canonical SMILES for N'-benzyl-2-fluoroethanimidamide;hydrochloride is Cl.N/C(CF)=N/Cc1ccccc1.
What is the InChIKey of N'-benzyl-2-fluoroethanimidamide;hydrochloride?
The InChIKey is UIUOLFXCUMBDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H2,11,12);1H.
What are the key properties of N'-benzyl-2-fluoroethanimidamide;hydrochloride?
N'-benzyl-2-fluoroethanimidamide;hydrochloride has a molecular weight of 202.66 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-2-fluoroethanimidamide;hydrochloride is sourced from PubChem (CID 54758327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).