7-amino-6-fluoro-2H-acenaphthylen-1-one

C12H8FNO — CID 172762749

IUPAC7-amino-6-fluoro-2H-acenaphthylen-1-one
SMILESNc1cc2c3c(cccc3c1F)CC2=O
InChIInChI=1S/C12H8FNO/c13-12-7-3-1-2-6-4-10(15)8(11(6)7)5-9(12)14/h1-3,5H,4,14H2
InChIKeyLXGDNZSUKHVQPE-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.30
Rot. Bonds

About 7-amino-6-fluoro-2H-acenaphthylen-1-one

7-amino-6-fluoro-2H-acenaphthylen-1-one (PubChem CID 172762749) has the molecular formula C12H8FNO and a molecular weight of 201.20 g/mol. Its IUPAC name is 7-amino-6-fluoro-2H-acenaphthylen-1-one.

Molecular Properties

Compound Name7-amino-6-fluoro-2H-acenaphthylen-1-one
PubChem CID172762749
Molecular FormulaC12H8FNO
Molecular Weight201.20 g/mol
Exact Mass201.06
IUPAC Name7-amino-6-fluoro-2H-acenaphthylen-1-one
SMILESNc1cc2c3c(cccc3c1F)CC2=O
InChIInChI=1S/C12H8FNO/c13-12-7-3-1-2-6-4-10(15)8(11(6)7)5-9(12)14/h1-3,5H,4,14H2
InChIKeyLXGDNZSUKHVQPE-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 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 ≤ 52.30
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 7-amino-6-fluoro-2H-acenaphthylen-1-one?
The IUPAC name of 7-amino-6-fluoro-2H-acenaphthylen-1-one (CID 172762749) is 7-amino-6-fluoro-2H-acenaphthylen-1-one.
What is the SMILES notation for 7-amino-6-fluoro-2H-acenaphthylen-1-one?
The canonical SMILES for 7-amino-6-fluoro-2H-acenaphthylen-1-one is Nc1cc2c3c(cccc3c1F)CC2=O.
What is the InChIKey of 7-amino-6-fluoro-2H-acenaphthylen-1-one?
The InChIKey is LXGDNZSUKHVQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO/c13-12-7-3-1-2-6-4-10(15)8(11(6)7)5-9(12)14/h1-3,5H,4,14H2.
What are the key properties of 7-amino-6-fluoro-2H-acenaphthylen-1-one?
7-amino-6-fluoro-2H-acenaphthylen-1-one has a molecular weight of 201.20 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-fluoro-2H-acenaphthylen-1-one is sourced from PubChem (CID 172762749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).