4-fluoronaphthalen-1-amine

C10H8FN — CID 15249405

IUPAC4-fluoronaphthalen-1-amine
SMILESNc1ccc(F)c2ccccc12
InChIInChI=1S/C10H8FN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKeyOHGQJGPCYSDTGN-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.56
Rot. Bonds

About 4-fluoronaphthalen-1-amine

4-fluoronaphthalen-1-amine (PubChem CID 15249405) has the molecular formula C10H8FN and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-fluoronaphthalen-1-amine.

Molecular Properties

Compound Name4-fluoronaphthalen-1-amine
PubChem CID15249405
Molecular FormulaC10H8FN
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name4-fluoronaphthalen-1-amine
SMILESNc1ccc(F)c2ccccc12
InChIInChI=1S/C10H8FN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKeyOHGQJGPCYSDTGN-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoronaphthalen-1-amine?
The IUPAC name of 4-fluoronaphthalen-1-amine (CID 15249405) is 4-fluoronaphthalen-1-amine.
What is the SMILES notation for 4-fluoronaphthalen-1-amine?
The canonical SMILES for 4-fluoronaphthalen-1-amine is Nc1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoronaphthalen-1-amine?
The InChIKey is OHGQJGPCYSDTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2.
What are the key properties of 4-fluoronaphthalen-1-amine?
4-fluoronaphthalen-1-amine has a molecular weight of 161.18 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoronaphthalen-1-amine is sourced from PubChem (CID 15249405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).