3-amino-5-fluoroxanthen-9-one

C13H8FNO2 — CID 71946928

IUPAC3-amino-5-fluoroxanthen-9-one
SMILESNc1ccc2c(=O)c3cccc(F)c3oc2c1
InChIInChI=1S/C13H8FNO2/c14-10-3-1-2-9-12(16)8-5-4-7(15)6-11(8)17-13(9)10/h1-6H,15H2
InChIKeyCQXVQRUYQXXVME-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.67
Rot. Bonds

About 3-amino-5-fluoroxanthen-9-one

3-amino-5-fluoroxanthen-9-one (PubChem CID 71946928) has the molecular formula C13H8FNO2 and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-amino-5-fluoroxanthen-9-one.

Molecular Properties

Compound Name3-amino-5-fluoroxanthen-9-one
PubChem CID71946928
Molecular FormulaC13H8FNO2
Molecular Weight229.21 g/mol
Exact Mass229.05
IUPAC Name3-amino-5-fluoroxanthen-9-one
SMILESNc1ccc2c(=O)c3cccc(F)c3oc2c1
InChIInChI=1S/C13H8FNO2/c14-10-3-1-2-9-12(16)8-5-4-7(15)6-11(8)17-13(9)10/h1-6H,15H2
InChIKeyCQXVQRUYQXXVME-UHFFFAOYSA-N
XLogP2.67
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoroxanthen-9-one?
The IUPAC name of 3-amino-5-fluoroxanthen-9-one (CID 71946928) is 3-amino-5-fluoroxanthen-9-one.
What is the SMILES notation for 3-amino-5-fluoroxanthen-9-one?
The canonical SMILES for 3-amino-5-fluoroxanthen-9-one is Nc1ccc2c(=O)c3cccc(F)c3oc2c1.
What is the InChIKey of 3-amino-5-fluoroxanthen-9-one?
The InChIKey is CQXVQRUYQXXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2/c14-10-3-1-2-9-12(16)8-5-4-7(15)6-11(8)17-13(9)10/h1-6H,15H2.
What are the key properties of 3-amino-5-fluoroxanthen-9-one?
3-amino-5-fluoroxanthen-9-one has a molecular weight of 229.21 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoroxanthen-9-one is sourced from PubChem (CID 71946928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).