1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one

C9H10FNO2 — CID 89089111

IUPAC1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccc(N)cc1F
InChIInChI=1S/C9H10FNO2/c1-5(12)9(13)7-3-2-6(11)4-8(7)10/h2-5,12H,11H2,1H3
InChIKeyDOPZIOAGTQCZLW-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.97
Rot. Bonds2

About 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one

1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one (PubChem CID 89089111) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one
PubChem CID89089111
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccc(N)cc1F
InChIInChI=1S/C9H10FNO2/c1-5(12)9(13)7-3-2-6(11)4-8(7)10/h2-5,12H,11H2,1H3
InChIKeyDOPZIOAGTQCZLW-UHFFFAOYSA-N
XLogP0.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.97
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-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one (CID 89089111) is 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one is CC(O)C(=O)c1ccc(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one?
The InChIKey is DOPZIOAGTQCZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5(12)9(13)7-3-2-6(11)4-8(7)10/h2-5,12H,11H2,1H3.
What are the key properties of 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one?
1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one has a molecular weight of 183.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)-2-hydroxypropan-1-one is sourced from PubChem (CID 89089111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).