2-fluoro-3-methylbutanimidamide

C5H11FN2 — CID 115011084

IUPAC2-fluoro-3-methylbutanimidamide
SMILES[H]/N=C(\N)C(F)C(C)C
InChIInChI=1S/C5H11FN2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H3,7,8)
InChIKeyVPUPSEODGLWGIA-UHFFFAOYSA-N
MW118.15 g/mol
LogP0.92
Rot. Bonds2

About 2-fluoro-3-methylbutanimidamide

2-fluoro-3-methylbutanimidamide (PubChem CID 115011084) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is 2-fluoro-3-methylbutanimidamide.

Molecular Properties

Compound Name2-fluoro-3-methylbutanimidamide
PubChem CID115011084
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name2-fluoro-3-methylbutanimidamide
SMILES[H]/N=C(\N)C(F)C(C)C
InChIInChI=1S/C5H11FN2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H3,7,8)
InChIKeyVPUPSEODGLWGIA-UHFFFAOYSA-N
XLogP0.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.92
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-3-methylbutanimidamide?
The IUPAC name of 2-fluoro-3-methylbutanimidamide (CID 115011084) is 2-fluoro-3-methylbutanimidamide.
What is the SMILES notation for 2-fluoro-3-methylbutanimidamide?
The canonical SMILES for 2-fluoro-3-methylbutanimidamide is [H]/N=C(\N)C(F)C(C)C.
What is the InChIKey of 2-fluoro-3-methylbutanimidamide?
The InChIKey is VPUPSEODGLWGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H3,7,8).
What are the key properties of 2-fluoro-3-methylbutanimidamide?
2-fluoro-3-methylbutanimidamide has a molecular weight of 118.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylbutanimidamide is sourced from PubChem (CID 115011084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).