CID 57047461

C11H11ClF3Si — CID 57047461

IUPAC—
SMILESC=C[Si](C)C(Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11ClF3Si/c1-3-16(2)10(12)8-6-4-5-7-9(8)11(13,14)15/h3-7,10H,1H2,2H3
InChIKeyWRZTVAFHJMVOAZ-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.37
Rot. Bonds3

About CID 57047461

CID 57047461 (PubChem CID 57047461) has the molecular formula C11H11ClF3Si and a molecular weight of 263.74 g/mol.

Molecular Properties

Compound NameCID 57047461
PubChem CID57047461
Molecular FormulaC11H11ClF3Si
Molecular Weight263.74 g/mol
Exact Mass263.03
IUPAC Name—
SMILESC=C[Si](C)C(Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11ClF3Si/c1-3-16(2)10(12)8-6-4-5-7-9(8)11(13,14)15/h3-7,10H,1H2,2H3
InChIKeyWRZTVAFHJMVOAZ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57047461?
The IUPAC name of CID 57047461 (CID 57047461) is not available.
What is the SMILES notation for CID 57047461?
The canonical SMILES for CID 57047461 is C=C[Si](C)C(Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of CID 57047461?
The InChIKey is WRZTVAFHJMVOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3Si/c1-3-16(2)10(12)8-6-4-5-7-9(8)11(13,14)15/h3-7,10H,1H2,2H3.
What are the key properties of CID 57047461?
CID 57047461 has a molecular weight of 263.74 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57047461 is sourced from PubChem (CID 57047461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).