8-fluorodibenzofuran-1-amine

C12H8FNO — CID 122424465

IUPAC8-fluorodibenzofuran-1-amine
SMILESNc1cccc2oc3ccc(F)cc3c12
InChIInChI=1S/C12H8FNO/c13-7-4-5-10-8(6-7)12-9(14)2-1-3-11(12)15-10/h1-6H,14H2
InChIKeyXLSZJUHJGFWPJR-UHFFFAOYSA-N
MW201.20 g/mol
LogP3.31
Rot. Bonds

About 8-fluorodibenzofuran-1-amine

8-fluorodibenzofuran-1-amine (PubChem CID 122424465) has the molecular formula C12H8FNO and a molecular weight of 201.20 g/mol. Its IUPAC name is 8-fluorodibenzofuran-1-amine.

Molecular Properties

Compound Name8-fluorodibenzofuran-1-amine
PubChem CID122424465
Molecular FormulaC12H8FNO
Molecular Weight201.20 g/mol
Exact Mass201.06
IUPAC Name8-fluorodibenzofuran-1-amine
SMILESNc1cccc2oc3ccc(F)cc3c12
InChIInChI=1S/C12H8FNO/c13-7-4-5-10-8(6-7)12-9(14)2-1-3-11(12)15-10/h1-6H,14H2
InChIKeyXLSZJUHJGFWPJR-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 53.31
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 8-fluorodibenzofuran-1-amine?
The IUPAC name of 8-fluorodibenzofuran-1-amine (CID 122424465) is 8-fluorodibenzofuran-1-amine.
What is the SMILES notation for 8-fluorodibenzofuran-1-amine?
The canonical SMILES for 8-fluorodibenzofuran-1-amine is Nc1cccc2oc3ccc(F)cc3c12.
What is the InChIKey of 8-fluorodibenzofuran-1-amine?
The InChIKey is XLSZJUHJGFWPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO/c13-7-4-5-10-8(6-7)12-9(14)2-1-3-11(12)15-10/h1-6H,14H2.
What are the key properties of 8-fluorodibenzofuran-1-amine?
8-fluorodibenzofuran-1-amine has a molecular weight of 201.20 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorodibenzofuran-1-amine is sourced from PubChem (CID 122424465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).