1,3-diethyl-2-fluoroimidazolidine;hydrochloride

C7H16ClFN2 — CID 173248152

IUPAC1,3-diethyl-2-fluoroimidazolidine;hydrochloride
SMILESCCN1CCN(CC)C1F.Cl
InChIInChI=1S/C7H15FN2.ClH/c1-3-9-5-6-10(4-2)7(9)8;/h7H,3-6H2,1-2H3;1H
InChIKeyWKGLJGSAUDVNCR-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.32
Rot. Bonds2

About 1,3-diethyl-2-fluoroimidazolidine;hydrochloride

1,3-diethyl-2-fluoroimidazolidine;hydrochloride (PubChem CID 173248152) has the molecular formula C7H16ClFN2 and a molecular weight of 182.67 g/mol. Its IUPAC name is 1,3-diethyl-2-fluoroimidazolidine;hydrochloride.

Molecular Properties

Compound Name1,3-diethyl-2-fluoroimidazolidine;hydrochloride
PubChem CID173248152
Molecular FormulaC7H16ClFN2
Molecular Weight182.67 g/mol
Exact Mass182.10
IUPAC Name1,3-diethyl-2-fluoroimidazolidine;hydrochloride
SMILESCCN1CCN(CC)C1F.Cl
InChIInChI=1S/C7H15FN2.ClH/c1-3-9-5-6-10(4-2)7(9)8;/h7H,3-6H2,1-2H3;1H
InChIKeyWKGLJGSAUDVNCR-UHFFFAOYSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 12634508
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3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluoroaniline
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CID 146922886

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-fluoroimidazolidine;hydrochloride?
The IUPAC name of 1,3-diethyl-2-fluoroimidazolidine;hydrochloride (CID 173248152) is 1,3-diethyl-2-fluoroimidazolidine;hydrochloride.
What is the SMILES notation for 1,3-diethyl-2-fluoroimidazolidine;hydrochloride?
The canonical SMILES for 1,3-diethyl-2-fluoroimidazolidine;hydrochloride is CCN1CCN(CC)C1F.Cl.
What is the InChIKey of 1,3-diethyl-2-fluoroimidazolidine;hydrochloride?
The InChIKey is WKGLJGSAUDVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2.ClH/c1-3-9-5-6-10(4-2)7(9)8;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 1,3-diethyl-2-fluoroimidazolidine;hydrochloride?
1,3-diethyl-2-fluoroimidazolidine;hydrochloride has a molecular weight of 182.67 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-fluoroimidazolidine;hydrochloride is sourced from PubChem (CID 173248152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).