2-fluoro-N'-propylethanimidamide;hydrochloride

C5H12ClFN2 — CID 54758325

IUPAC2-fluoro-N'-propylethanimidamide;hydrochloride
SMILESCCC/N=C(/N)CF.Cl
InChIInChI=1S/C5H11FN2.ClH/c1-2-3-8-5(7)4-6;/h2-4H2,1H3,(H2,7,8);1H
InChIKeyPWLPMZLHRLBNBN-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.14
Rot. Bonds3

About 2-fluoro-N'-propylethanimidamide;hydrochloride

2-fluoro-N'-propylethanimidamide;hydrochloride (PubChem CID 54758325) has the molecular formula C5H12ClFN2 and a molecular weight of 154.62 g/mol. Its IUPAC name is 2-fluoro-N'-propylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N'-propylethanimidamide;hydrochloride
PubChem CID54758325
Molecular FormulaC5H12ClFN2
Molecular Weight154.62 g/mol
Exact Mass154.07
IUPAC Name2-fluoro-N'-propylethanimidamide;hydrochloride
SMILESCCC/N=C(/N)CF.Cl
InChIInChI=1S/C5H11FN2.ClH/c1-2-3-8-5(7)4-6;/h2-4H2,1H3,(H2,7,8);1H
InChIKeyPWLPMZLHRLBNBN-UHFFFAOYSA-N
XLogP1.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.14
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 2-fluoro-N'-propylethanimidamide;hydrochloride?
The IUPAC name of 2-fluoro-N'-propylethanimidamide;hydrochloride (CID 54758325) is 2-fluoro-N'-propylethanimidamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N'-propylethanimidamide;hydrochloride?
The canonical SMILES for 2-fluoro-N'-propylethanimidamide;hydrochloride is CCC/N=C(/N)CF.Cl.
What is the InChIKey of 2-fluoro-N'-propylethanimidamide;hydrochloride?
The InChIKey is PWLPMZLHRLBNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2.ClH/c1-2-3-8-5(7)4-6;/h2-4H2,1H3,(H2,7,8);1H.
What are the key properties of 2-fluoro-N'-propylethanimidamide;hydrochloride?
2-fluoro-N'-propylethanimidamide;hydrochloride has a molecular weight of 154.62 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-propylethanimidamide;hydrochloride is sourced from PubChem (CID 54758325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).