7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

C11H12FNO — CID 67132737

IUPAC7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESNC1CCc2ccccc2C(F)C1=O
InChIInChI=1S/C11H12FNO/c12-10-8-4-2-1-3-7(8)5-6-9(13)11(10)14/h1-4,9-10H,5-6,13H2
InChIKeyDSKVBKPNWWWLLF-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.54
Rot. Bonds

About 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (PubChem CID 67132737) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.

Molecular Properties

Compound Name7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
PubChem CID67132737
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESNC1CCc2ccccc2C(F)C1=O
InChIInChI=1S/C11H12FNO/c12-10-8-4-2-1-3-7(8)5-6-9(13)11(10)14/h1-4,9-10H,5-6,13H2
InChIKeyDSKVBKPNWWWLLF-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The IUPAC name of 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (CID 67132737) is 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.
What is the SMILES notation for 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The canonical SMILES for 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is NC1CCc2ccccc2C(F)C1=O.
What is the InChIKey of 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The InChIKey is DSKVBKPNWWWLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-10-8-4-2-1-3-7(8)5-6-9(13)11(10)14/h1-4,9-10H,5-6,13H2.
What are the key properties of 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one has a molecular weight of 193.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is sourced from PubChem (CID 67132737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).