4,7-difluoronaphthalen-1-amine

C10H7F2N — CID 115015314

IUPAC4,7-difluoronaphthalen-1-amine
SMILESNc1ccc(F)c2ccc(F)cc12
InChIInChI=1S/C10H7F2N/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H,13H2
InChIKeyXRPJJGHHSFVYJC-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.70
Rot. Bonds

About 4,7-difluoronaphthalen-1-amine

4,7-difluoronaphthalen-1-amine (PubChem CID 115015314) has the molecular formula C10H7F2N and a molecular weight of 179.17 g/mol. Its IUPAC name is 4,7-difluoronaphthalen-1-amine.

Molecular Properties

Compound Name4,7-difluoronaphthalen-1-amine
PubChem CID115015314
Molecular FormulaC10H7F2N
Molecular Weight179.17 g/mol
Exact Mass179.05
IUPAC Name4,7-difluoronaphthalen-1-amine
SMILESNc1ccc(F)c2ccc(F)cc12
InChIInChI=1S/C10H7F2N/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H,13H2
InChIKeyXRPJJGHHSFVYJC-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.70
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 4,7-difluoronaphthalen-1-amine?
The IUPAC name of 4,7-difluoronaphthalen-1-amine (CID 115015314) is 4,7-difluoronaphthalen-1-amine.
What is the SMILES notation for 4,7-difluoronaphthalen-1-amine?
The canonical SMILES for 4,7-difluoronaphthalen-1-amine is Nc1ccc(F)c2ccc(F)cc12.
What is the InChIKey of 4,7-difluoronaphthalen-1-amine?
The InChIKey is XRPJJGHHSFVYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H,13H2.
What are the key properties of 4,7-difluoronaphthalen-1-amine?
4,7-difluoronaphthalen-1-amine has a molecular weight of 179.17 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoronaphthalen-1-amine is sourced from PubChem (CID 115015314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).