cobalt;5-fluoro-3-propyl-1H-indene

C12H12CoF- — CID 58657549

IUPACcobalt;5-fluoro-3-propyl-1H-indene
SMILES[CH2-]CCC1=CCc2ccc(F)cc21.[Co]
InChIInChI=1S/C12H12F.Co/c1-2-3-9-4-5-10-6-7-11(13)8-12(9)10;/h4,6-8H,1-3,5H2;/q-1;
InChIKeyHSWGXHMHIOFRGV-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.38
Rot. Bonds2

About cobalt;5-fluoro-3-propyl-1H-indene

cobalt;5-fluoro-3-propyl-1H-indene (PubChem CID 58657549) has the molecular formula C12H12CoF- and a molecular weight of 234.16 g/mol. Its IUPAC name is cobalt;5-fluoro-3-propyl-1H-indene.

Molecular Properties

Compound Namecobalt;5-fluoro-3-propyl-1H-indene
PubChem CID58657549
Molecular FormulaC12H12CoF-
Molecular Weight234.16 g/mol
Exact Mass234.03
IUPAC Namecobalt;5-fluoro-3-propyl-1H-indene
SMILES[CH2-]CCC1=CCc2ccc(F)cc21.[Co]
InChIInChI=1S/C12H12F.Co/c1-2-3-9-4-5-10-6-7-11(13)8-12(9)10;/h4,6-8H,1-3,5H2;/q-1;
InChIKeyHSWGXHMHIOFRGV-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze cobalt;5-fluoro-3-propyl-1H-indene 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 cobalt;5-fluoro-3-propyl-1H-indene?
The IUPAC name of cobalt;5-fluoro-3-propyl-1H-indene (CID 58657549) is cobalt;5-fluoro-3-propyl-1H-indene.
What is the SMILES notation for cobalt;5-fluoro-3-propyl-1H-indene?
The canonical SMILES for cobalt;5-fluoro-3-propyl-1H-indene is [CH2-]CCC1=CCc2ccc(F)cc21.[Co].
What is the InChIKey of cobalt;5-fluoro-3-propyl-1H-indene?
The InChIKey is HSWGXHMHIOFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F.Co/c1-2-3-9-4-5-10-6-7-11(13)8-12(9)10;/h4,6-8H,1-3,5H2;/q-1;.
What are the key properties of cobalt;5-fluoro-3-propyl-1H-indene?
cobalt;5-fluoro-3-propyl-1H-indene has a molecular weight of 234.16 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;5-fluoro-3-propyl-1H-indene is sourced from PubChem (CID 58657549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).