2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one

C11H14FNO2 — CID 54215728

IUPAC2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one
SMILESCC(O)C(=O)C(N)Cc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-7(14)11(15)10(13)6-8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3
InChIKeyPZAXGJYPZYCHIF-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.65
Rot. Bonds4

About 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one

2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one (PubChem CID 54215728) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one.

Molecular Properties

Compound Name2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one
PubChem CID54215728
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one
SMILESCC(O)C(=O)C(N)Cc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-7(14)11(15)10(13)6-8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3
InChIKeyPZAXGJYPZYCHIF-UHFFFAOYSA-N
XLogP0.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one?
The IUPAC name of 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one (CID 54215728) is 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one.
What is the SMILES notation for 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one?
The canonical SMILES for 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one is CC(O)C(=O)C(N)Cc1cccc(F)c1.
What is the InChIKey of 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one?
The InChIKey is PZAXGJYPZYCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(14)11(15)10(13)6-8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3.
What are the key properties of 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one?
2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one has a molecular weight of 211.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluorophenyl)-4-hydroxypentan-3-one is sourced from PubChem (CID 54215728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).