bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride

C20H28Cl2F2N4O2 — CID 67100780

IUPACbis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)COCCc1ccccc1F.[H]/N=C(\N)COCCc1ccccc1F
InChIInChI=1S/2C10H13FN2O.2ClH/c2*11-9-4-2-1-3-8(9)5-6-14-7-10(12)13;;/h2*1-4H,5-7H2,(H3,12,13);2*1H
InChIKeyIOPRVZSSVJOETN-UHFFFAOYSA-N
MW465.37 g/mol
LogP3.49
Rot. Bonds10

About bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride

bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride (PubChem CID 67100780) has the molecular formula C20H28Cl2F2N4O2 and a molecular weight of 465.37 g/mol. Its IUPAC name is bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride.

Molecular Properties

Compound Namebis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride
PubChem CID67100780
Molecular FormulaC20H28Cl2F2N4O2
Molecular Weight465.37 g/mol
Exact Mass464.16
IUPAC Namebis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)COCCc1ccccc1F.[H]/N=C(\N)COCCc1ccccc1F
InChIInChI=1S/2C10H13FN2O.2ClH/c2*11-9-4-2-1-3-8(9)5-6-14-7-10(12)13;;/h2*1-4H,5-7H2,(H3,12,13);2*1H
InChIKeyIOPRVZSSVJOETN-UHFFFAOYSA-N
XLogP3.49
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622
ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride
CID 19906262
1-fluoro-2-(2-pentoxyethyl)benzene
CID 91695654
2-(2-chloroethoxy)ethanimidamide
CID 150457610
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-(2-ethoxyethoxy)ethanimidamide
CID 24707447
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
2-(methoxymethoxy)ethanimidamide;hydrochloride
CID 75421025

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride?
The IUPAC name of bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride (CID 67100780) is bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride.
What is the SMILES notation for bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride?
The canonical SMILES for bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride is Cl.Cl.[H]/N=C(\N)COCCc1ccccc1F.[H]/N=C(\N)COCCc1ccccc1F.
What is the InChIKey of bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride?
The InChIKey is IOPRVZSSVJOETN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13FN2O.2ClH/c2*11-9-4-2-1-3-8(9)5-6-14-7-10(12)13;;/h2*1-4H,5-7H2,(H3,12,13);2*1H.
What are the key properties of bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride?
bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride has a molecular weight of 465.37 g/mol, XLogP of 3.49, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride is sourced from PubChem (CID 67100780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).