N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide

C11H14FNO2 — CID 91304248

IUPACN-fluoro-2-methoxy-2-methyl-3-phenylpropanamide
SMILESCOC(C)(Cc1ccccc1)C(=O)NF
InChIInChI=1S/C11H14FNO2/c1-11(15-2,10(14)13-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyVETOZEWOQXQBFO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.63
Rot. Bonds4

About N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide

N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide (PubChem CID 91304248) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-fluoro-2-methoxy-2-methyl-3-phenylpropanamide
PubChem CID91304248
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC NameN-fluoro-2-methoxy-2-methyl-3-phenylpropanamide
SMILESCOC(C)(Cc1ccccc1)C(=O)NF
InChIInChI=1S/C11H14FNO2/c1-11(15-2,10(14)13-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyVETOZEWOQXQBFO-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide?
The IUPAC name of N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide (CID 91304248) is N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide is COC(C)(Cc1ccccc1)C(=O)NF.
What is the InChIKey of N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide?
The InChIKey is VETOZEWOQXQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(15-2,10(14)13-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide?
N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide has a molecular weight of 211.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-methoxy-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 91304248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).