1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone

C17H31FOSi — CID 15419447

IUPAC1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone
SMILESCC(=O)[C@]12CCCC[C@H]1C[C@@H]([Si](F)(C(C)C)C(C)C)C2
InChIInChI=1S/C17H31FOSi/c1-12(2)20(18,13(3)4)16-10-15-8-6-7-9-17(15,11-16)14(5)19/h12-13,15-16H,6-11H2,1-5H3/t15-,16+,17+/m0/s1
InChIKeyWWMHFPCNNRLVDN-GVDBMIGSSA-N
MW298.52 g/mol
LogP5.65
Rot. Bonds4

About 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone

1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone (PubChem CID 15419447) has the molecular formula C17H31FOSi and a molecular weight of 298.52 g/mol. Its IUPAC name is 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone
PubChem CID15419447
Molecular FormulaC17H31FOSi
Molecular Weight298.52 g/mol
Exact Mass298.21
IUPAC Name1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone
SMILESCC(=O)[C@]12CCCC[C@H]1C[C@@H]([Si](F)(C(C)C)C(C)C)C2
InChIInChI=1S/C17H31FOSi/c1-12(2)20(18,13(3)4)16-10-15-8-6-7-9-17(15,11-16)14(5)19/h12-13,15-16H,6-11H2,1-5H3/t15-,16+,17+/m0/s1
InChIKeyWWMHFPCNNRLVDN-GVDBMIGSSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone 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 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone?
The IUPAC name of 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone (CID 15419447) is 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone.
What is the SMILES notation for 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone?
The canonical SMILES for 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone is CC(=O)[C@]12CCCC[C@H]1C[C@@H]([Si](F)(C(C)C)C(C)C)C2.
What is the InChIKey of 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone?
The InChIKey is WWMHFPCNNRLVDN-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H31FOSi/c1-12(2)20(18,13(3)4)16-10-15-8-6-7-9-17(15,11-16)14(5)19/h12-13,15-16H,6-11H2,1-5H3/t15-,16+,17+/m0/s1.
What are the key properties of 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone?
1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone has a molecular weight of 298.52 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aS,7aS)-2-[fluoro-di(propan-2-yl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone is sourced from PubChem (CID 15419447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).