1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one

C15H14FNO2 — CID 67711819

IUPAC1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one
SMILESNc1ccc(F)cc1C(=O)C(O)Cc1ccccc1
InChIInChI=1S/C15H14FNO2/c16-11-6-7-13(17)12(9-11)15(19)14(18)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8,17H2
InChIKeyTZLUCDWRGFJBPP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.19
Rot. Bonds4

About 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one

1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one (PubChem CID 67711819) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one
PubChem CID67711819
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one
SMILESNc1ccc(F)cc1C(=O)C(O)Cc1ccccc1
InChIInChI=1S/C15H14FNO2/c16-11-6-7-13(17)12(9-11)15(19)14(18)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8,17H2
InChIKeyTZLUCDWRGFJBPP-UHFFFAOYSA-N
XLogP2.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one (CID 67711819) is 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one is Nc1ccc(F)cc1C(=O)C(O)Cc1ccccc1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one?
The InChIKey is TZLUCDWRGFJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-11-6-7-13(17)12(9-11)15(19)14(18)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8,17H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one?
1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one has a molecular weight of 259.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-hydroxy-3-phenylpropan-1-one is sourced from PubChem (CID 67711819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).