CID 66647890

C8H4FSi — CID 66647890

IUPAC—
SMILESFc1ccccc1C#C[Si]
InChIInChI=1S/C8H4FSi/c9-8-4-2-1-3-7(8)5-6-10/h1-4H
InChIKeyPJXDCJRWPSIBDR-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.30
Rot. Bonds

About CID 66647890

CID 66647890 (PubChem CID 66647890) has the molecular formula C8H4FSi and a molecular weight of 147.20 g/mol.

Molecular Properties

Compound NameCID 66647890
PubChem CID66647890
Molecular FormulaC8H4FSi
Molecular Weight147.20 g/mol
Exact Mass147.01
IUPAC Name—
SMILESFc1ccccc1C#C[Si]
InChIInChI=1S/C8H4FSi/c9-8-4-2-1-3-7(8)5-6-10/h1-4H
InChIKeyPJXDCJRWPSIBDR-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66647890?
The IUPAC name of CID 66647890 (CID 66647890) is not available.
What is the SMILES notation for CID 66647890?
The canonical SMILES for CID 66647890 is Fc1ccccc1C#C[Si].
What is the InChIKey of CID 66647890?
The InChIKey is PJXDCJRWPSIBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FSi/c9-8-4-2-1-3-7(8)5-6-10/h1-4H.
What are the key properties of CID 66647890?
CID 66647890 has a molecular weight of 147.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66647890 is sourced from PubChem (CID 66647890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).