2-fluoro-N'-methylpropanimidamide

C4H9FN2 — CID 91141479

IUPAC2-fluoro-N'-methylpropanimidamide
SMILESC/N=C(\N)C(C)F
InChIInChI=1S/C4H9FN2/c1-3(5)4(6)7-2/h3H,1-2H3,(H2,6,7)
InChIKeyFRFFHMZQSAUTNS-UHFFFAOYSA-N
MW104.13 g/mol
LogP0.33
Rot. Bonds1

About 2-fluoro-N'-methylpropanimidamide

2-fluoro-N'-methylpropanimidamide (PubChem CID 91141479) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 2-fluoro-N'-methylpropanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-methylpropanimidamide
PubChem CID91141479
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name2-fluoro-N'-methylpropanimidamide
SMILESC/N=C(\N)C(C)F
InChIInChI=1S/C4H9FN2/c1-3(5)4(6)7-2/h3H,1-2H3,(H2,6,7)
InChIKeyFRFFHMZQSAUTNS-UHFFFAOYSA-N
XLogP0.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.33
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'-methylpropanimidamide?
The IUPAC name of 2-fluoro-N'-methylpropanimidamide (CID 91141479) is 2-fluoro-N'-methylpropanimidamide.
What is the SMILES notation for 2-fluoro-N'-methylpropanimidamide?
The canonical SMILES for 2-fluoro-N'-methylpropanimidamide is C/N=C(\N)C(C)F.
What is the InChIKey of 2-fluoro-N'-methylpropanimidamide?
The InChIKey is FRFFHMZQSAUTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c1-3(5)4(6)7-2/h3H,1-2H3,(H2,6,7).
What are the key properties of 2-fluoro-N'-methylpropanimidamide?
2-fluoro-N'-methylpropanimidamide has a molecular weight of 104.13 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-methylpropanimidamide is sourced from PubChem (CID 91141479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).