1-(2-amino-3-fluorophenyl)propan-2-one

C9H10FNO — CID 59383493

IUPAC1-(2-amino-3-fluorophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(F)c1N
InChIInChI=1S/C9H10FNO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4H,5,11H2,1H3
InChIKeyGBGJOIBBKZECHP-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-amino-3-fluorophenyl)propan-2-one

1-(2-amino-3-fluorophenyl)propan-2-one (PubChem CID 59383493) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)propan-2-one
PubChem CID59383493
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-(2-amino-3-fluorophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(F)c1N
InChIInChI=1S/C9H10FNO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4H,5,11H2,1H3
InChIKeyGBGJOIBBKZECHP-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-amino-3-fluorophenyl)propan-2-one (CID 59383493) is 1-(2-amino-3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)propan-2-one is CC(=O)Cc1cccc(F)c1N.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)propan-2-one?
The InChIKey is GBGJOIBBKZECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4H,5,11H2,1H3.
What are the key properties of 1-(2-amino-3-fluorophenyl)propan-2-one?
1-(2-amino-3-fluorophenyl)propan-2-one has a molecular weight of 167.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)propan-2-one is sourced from PubChem (CID 59383493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).