CID 178181690

C4H9F2Si — CID 178181690

IUPAC—
SMILESCCC(C)[Si](F)F
InChIInChI=1S/C4H9F2Si/c1-3-4(2)7(5)6/h4H,3H2,1-2H3
InChIKeyVWMJIRLPSRHKCY-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

About CID 178181690

CID 178181690 (PubChem CID 178181690) has the molecular formula C4H9F2Si and a molecular weight of 123.20 g/mol.

Molecular Properties

Compound NameCID 178181690
PubChem CID178181690
Molecular FormulaC4H9F2Si
Molecular Weight123.20 g/mol
Exact Mass123.04
IUPAC Name—
SMILESCCC(C)[Si](F)F
InChIInChI=1S/C4H9F2Si/c1-3-4(2)7(5)6/h4H,3H2,1-2H3
InChIKeyVWMJIRLPSRHKCY-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 178181690?
The IUPAC name of CID 178181690 (CID 178181690) is not available.
What is the SMILES notation for CID 178181690?
The canonical SMILES for CID 178181690 is CCC(C)[Si](F)F.
What is the InChIKey of CID 178181690?
The InChIKey is VWMJIRLPSRHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2Si/c1-3-4(2)7(5)6/h4H,3H2,1-2H3.
What are the key properties of CID 178181690?
CID 178181690 has a molecular weight of 123.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178181690 is sourced from PubChem (CID 178181690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).