2-fluoro-2-methylpropanimidamide

C4H9FN2 — CID 55285265

IUPAC2-fluoro-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)F
InChIInChI=1S/C4H9FN2/c1-4(2,5)3(6)7/h1-2H3,(H3,6,7)
InChIKeyPVZMONQUAVHMFA-UHFFFAOYSA-N
MW104.13 g/mol
LogP0.67
Rot. Bonds1

About 2-fluoro-2-methylpropanimidamide

2-fluoro-2-methylpropanimidamide (PubChem CID 55285265) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 2-fluoro-2-methylpropanimidamide.

Molecular Properties

Compound Name2-fluoro-2-methylpropanimidamide
PubChem CID55285265
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name2-fluoro-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)F
InChIInChI=1S/C4H9FN2/c1-4(2,5)3(6)7/h1-2H3,(H3,6,7)
InChIKeyPVZMONQUAVHMFA-UHFFFAOYSA-N
XLogP0.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.67
H-Bond Donors ≤ 52
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-2-methylpropanimidamide?
The IUPAC name of 2-fluoro-2-methylpropanimidamide (CID 55285265) is 2-fluoro-2-methylpropanimidamide.
What is the SMILES notation for 2-fluoro-2-methylpropanimidamide?
The canonical SMILES for 2-fluoro-2-methylpropanimidamide is [H]/N=C(\N)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methylpropanimidamide?
The InChIKey is PVZMONQUAVHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c1-4(2,5)3(6)7/h1-2H3,(H3,6,7).
What are the key properties of 2-fluoro-2-methylpropanimidamide?
2-fluoro-2-methylpropanimidamide has a molecular weight of 104.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylpropanimidamide is sourced from PubChem (CID 55285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).