2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide

C10H15FN2 — CID 166922223

IUPAC2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide
SMILESC=N/C(=N\C=C\C(=C)C)C(C)(C)F
InChIInChI=1S/C10H15FN2/c1-8(2)6-7-13-9(12-5)10(3,4)11/h6-7H,1,5H2,2-4H3/b7-6+,13-9-
InChIKeyTUGYCEHFBDXENR-PXBDENQTSA-N
MW182.24 g/mol
LogP2.92
Rot. Bonds3

About 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide

2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide (PubChem CID 166922223) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide
PubChem CID166922223
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide
SMILESC=N/C(=N\C=C\C(=C)C)C(C)(C)F
InChIInChI=1S/C10H15FN2/c1-8(2)6-7-13-9(12-5)10(3,4)11/h6-7H,1,5H2,2-4H3/b7-6+,13-9-
InChIKeyTUGYCEHFBDXENR-PXBDENQTSA-N
XLogP2.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide?
The IUPAC name of 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide (CID 166922223) is 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide.
What is the SMILES notation for 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide?
The canonical SMILES for 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide is C=N/C(=N\C=C\C(=C)C)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide?
The InChIKey is TUGYCEHFBDXENR-PXBDENQTSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8(2)6-7-13-9(12-5)10(3,4)11/h6-7H,1,5H2,2-4H3/b7-6+,13-9-.
What are the key properties of 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide?
2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide has a molecular weight of 182.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide is sourced from PubChem (CID 166922223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).