CID 87144486

C4H9F2Si — CID 87144486

IUPAC—
SMILESCCCC[Si](F)F
InChIInChI=1S/C4H9F2Si/c1-2-3-4-7(5)6/h2-4H2,1H3
InChIKeyJJDWKGSWPUTRAD-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds3

About CID 87144486

CID 87144486 (PubChem CID 87144486) has the molecular formula C4H9F2Si and a molecular weight of 123.20 g/mol.

Molecular Properties

Compound NameCID 87144486
PubChem CID87144486
Molecular FormulaC4H9F2Si
Molecular Weight123.20 g/mol
Exact Mass123.04
IUPAC Name—
SMILESCCCC[Si](F)F
InChIInChI=1S/C4H9F2Si/c1-2-3-4-7(5)6/h2-4H2,1H3
InChIKeyJJDWKGSWPUTRAD-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87144486?
The IUPAC name of CID 87144486 (CID 87144486) is not available.
What is the SMILES notation for CID 87144486?
The canonical SMILES for CID 87144486 is CCCC[Si](F)F.
What is the InChIKey of CID 87144486?
The InChIKey is JJDWKGSWPUTRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2Si/c1-2-3-4-7(5)6/h2-4H2,1H3.
What are the key properties of CID 87144486?
CID 87144486 has a molecular weight of 123.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87144486 is sourced from PubChem (CID 87144486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).