3-fluoro-2-methyl-2-phenylselanylpropanamide

C10H12FNOSe — CID 154713454

IUPAC3-fluoro-2-methyl-2-phenylselanylpropanamide
SMILESCC(CF)([Se]c1ccccc1)C(N)=O
InChIInChI=1S/C10H12FNOSe/c1-10(7-11,9(12)13)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyPWHOQAFRJJIABV-UHFFFAOYSA-N
MW260.17 g/mol
LogP0.65
Rot. Bonds4

About 3-fluoro-2-methyl-2-phenylselanylpropanamide

3-fluoro-2-methyl-2-phenylselanylpropanamide (PubChem CID 154713454) has the molecular formula C10H12FNOSe and a molecular weight of 260.17 g/mol. Its IUPAC name is 3-fluoro-2-methyl-2-phenylselanylpropanamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-2-phenylselanylpropanamide
PubChem CID154713454
Molecular FormulaC10H12FNOSe
Molecular Weight260.17 g/mol
Exact Mass261.01
IUPAC Name3-fluoro-2-methyl-2-phenylselanylpropanamide
SMILESCC(CF)([Se]c1ccccc1)C(N)=O
InChIInChI=1S/C10H12FNOSe/c1-10(7-11,9(12)13)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyPWHOQAFRJJIABV-UHFFFAOYSA-N
XLogP0.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-2-phenylselanylpropanamide?
The IUPAC name of 3-fluoro-2-methyl-2-phenylselanylpropanamide (CID 154713454) is 3-fluoro-2-methyl-2-phenylselanylpropanamide.
What is the SMILES notation for 3-fluoro-2-methyl-2-phenylselanylpropanamide?
The canonical SMILES for 3-fluoro-2-methyl-2-phenylselanylpropanamide is CC(CF)([Se]c1ccccc1)C(N)=O.
What is the InChIKey of 3-fluoro-2-methyl-2-phenylselanylpropanamide?
The InChIKey is PWHOQAFRJJIABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOSe/c1-10(7-11,9(12)13)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13).
What are the key properties of 3-fluoro-2-methyl-2-phenylselanylpropanamide?
3-fluoro-2-methyl-2-phenylselanylpropanamide has a molecular weight of 260.17 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-2-phenylselanylpropanamide is sourced from PubChem (CID 154713454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).