4-(4-aminophenyl)-4-fluorobutan-2-one

C10H12FNO — CID 83854026

IUPAC4-(4-aminophenyl)-4-fluorobutan-2-one
SMILESCC(=O)CC(F)c1ccc(N)cc1
InChIInChI=1S/C10H12FNO/c1-7(13)6-10(11)8-2-4-9(12)5-3-8/h2-5,10H,6,12H2,1H3
InChIKeyGREXOTKSXXDLLS-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.26
Rot. Bonds3

About 4-(4-aminophenyl)-4-fluorobutan-2-one

4-(4-aminophenyl)-4-fluorobutan-2-one (PubChem CID 83854026) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-(4-aminophenyl)-4-fluorobutan-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-4-fluorobutan-2-one
PubChem CID83854026
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-(4-aminophenyl)-4-fluorobutan-2-one
SMILESCC(=O)CC(F)c1ccc(N)cc1
InChIInChI=1S/C10H12FNO/c1-7(13)6-10(11)8-2-4-9(12)5-3-8/h2-5,10H,6,12H2,1H3
InChIKeyGREXOTKSXXDLLS-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.26
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 4-(4-aminophenyl)-4-fluorobutan-2-one?
The IUPAC name of 4-(4-aminophenyl)-4-fluorobutan-2-one (CID 83854026) is 4-(4-aminophenyl)-4-fluorobutan-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-4-fluorobutan-2-one?
The canonical SMILES for 4-(4-aminophenyl)-4-fluorobutan-2-one is CC(=O)CC(F)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-4-fluorobutan-2-one?
The InChIKey is GREXOTKSXXDLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7(13)6-10(11)8-2-4-9(12)5-3-8/h2-5,10H,6,12H2,1H3.
What are the key properties of 4-(4-aminophenyl)-4-fluorobutan-2-one?
4-(4-aminophenyl)-4-fluorobutan-2-one has a molecular weight of 181.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-4-fluorobutan-2-one is sourced from PubChem (CID 83854026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).