1-anilinooxy-1-fluoropropan-2-one

C9H10FNO2 — CID 23150396

IUPAC1-anilinooxy-1-fluoropropan-2-one
SMILESCC(=O)C(F)ONc1ccccc1
InChIInChI=1S/C9H10FNO2/c1-7(12)9(10)13-11-8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyZMQRPUKSKIJFKU-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.91
Rot. Bonds4

About 1-anilinooxy-1-fluoropropan-2-one

1-anilinooxy-1-fluoropropan-2-one (PubChem CID 23150396) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-anilinooxy-1-fluoropropan-2-one.

Molecular Properties

Compound Name1-anilinooxy-1-fluoropropan-2-one
PubChem CID23150396
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-anilinooxy-1-fluoropropan-2-one
SMILESCC(=O)C(F)ONc1ccccc1
InChIInChI=1S/C9H10FNO2/c1-7(12)9(10)13-11-8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyZMQRPUKSKIJFKU-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anilinooxy-1-fluoropropan-2-one?
The IUPAC name of 1-anilinooxy-1-fluoropropan-2-one (CID 23150396) is 1-anilinooxy-1-fluoropropan-2-one.
What is the SMILES notation for 1-anilinooxy-1-fluoropropan-2-one?
The canonical SMILES for 1-anilinooxy-1-fluoropropan-2-one is CC(=O)C(F)ONc1ccccc1.
What is the InChIKey of 1-anilinooxy-1-fluoropropan-2-one?
The InChIKey is ZMQRPUKSKIJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-7(12)9(10)13-11-8-5-3-2-4-6-8/h2-6,9,11H,1H3.
What are the key properties of 1-anilinooxy-1-fluoropropan-2-one?
1-anilinooxy-1-fluoropropan-2-one has a molecular weight of 183.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinooxy-1-fluoropropan-2-one is sourced from PubChem (CID 23150396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).