5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide

C13H19FN2O — CID 65258590

IUPAC5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-13(2,12(15)16)8-5-9-17-11-7-4-3-6-10(11)14/h3-4,6-7H,5,8-9H2,1-2H3,(H3,15,16)
InChIKeyXUQVKJIZDWGJGT-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.95
Rot. Bonds6

About 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide

5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide (PubChem CID 65258590) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide
PubChem CID65258590
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-13(2,12(15)16)8-5-9-17-11-7-4-3-6-10(11)14/h3-4,6-7H,5,8-9H2,1-2H3,(H3,15,16)
InChIKeyXUQVKJIZDWGJGT-UHFFFAOYSA-N
XLogP2.95
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide (CID 65258590) is 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCOc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide?
The InChIKey is XUQVKJIZDWGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2,12(15)16)8-5-9-17-11-7-4-3-6-10(11)14/h3-4,6-7H,5,8-9H2,1-2H3,(H3,15,16).
What are the key properties of 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide?
5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide has a molecular weight of 238.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).