CID 134951772

C21H20FSi — CID 134951772

IUPAC—
SMILESC[C@H](C[Si](c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H20FSi/c1-17(18-9-8-10-19(22)15-18)16-23(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyRWHPWUNJXZQFCX-QGZVFWFLSA-N
MW319.48 g/mol
LogP4.24
Rot. Bonds5

About CID 134951772

CID 134951772 (PubChem CID 134951772) has the molecular formula C21H20FSi and a molecular weight of 319.48 g/mol.

Molecular Properties

Compound NameCID 134951772
PubChem CID134951772
Molecular FormulaC21H20FSi
Molecular Weight319.48 g/mol
Exact Mass319.13
IUPAC Name—
SMILESC[C@H](C[Si](c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H20FSi/c1-17(18-9-8-10-19(22)15-18)16-23(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyRWHPWUNJXZQFCX-QGZVFWFLSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134951772?
The IUPAC name of CID 134951772 (CID 134951772) is not available.
What is the SMILES notation for CID 134951772?
The canonical SMILES for CID 134951772 is C[C@H](C[Si](c1ccccc1)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of CID 134951772?
The InChIKey is RWHPWUNJXZQFCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FSi/c1-17(18-9-8-10-19(22)15-18)16-23(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,17H,16H2,1H3/t17-/m1/s1.
What are the key properties of CID 134951772?
CID 134951772 has a molecular weight of 319.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134951772 is sourced from PubChem (CID 134951772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).