CID 158567805

C20H21F2SiZr — CID 158567805

IUPAC—
SMILESC[SiH]C.[F-].[F-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H7Si.2FH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2*1-7H;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFPTQKZFTCCPHPT-UHFFFAOYSA-L
MW418.69 g/mol
LogP-0.36
Rot. Bonds

About CID 158567805

CID 158567805 (PubChem CID 158567805) has the molecular formula C20H21F2SiZr and a molecular weight of 418.69 g/mol.

Molecular Properties

Compound NameCID 158567805
PubChem CID158567805
Molecular FormulaC20H21F2SiZr
Molecular Weight418.69 g/mol
Exact Mass417.04
IUPAC Name—
SMILESC[SiH]C.[F-].[F-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H7Si.2FH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2*1-7H;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFPTQKZFTCCPHPT-UHFFFAOYSA-L
XLogP-0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.69
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158567805?
The IUPAC name of CID 158567805 (CID 158567805) is not available.
What is the SMILES notation for CID 158567805?
The canonical SMILES for CID 158567805 is C[SiH]C.[F-].[F-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 158567805?
The InChIKey is FPTQKZFTCCPHPT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C2H7Si.2FH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2*1-7H;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 158567805?
CID 158567805 has a molecular weight of 418.69 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158567805 is sourced from PubChem (CID 158567805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).