CID 57277614

C7H6Cl3Si — CID 57277614

IUPAC—
SMILESClC(c1ccccc1)[Si](Cl)Cl
InChIInChI=1S/C7H6Cl3Si/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7H
InChIKeyIPMXKZUOBJOCJC-UHFFFAOYSA-N
MW224.57 g/mol
LogP3.47
Rot. Bonds2

About CID 57277614

CID 57277614 (PubChem CID 57277614) has the molecular formula C7H6Cl3Si and a molecular weight of 224.57 g/mol.

Molecular Properties

Compound NameCID 57277614
PubChem CID57277614
Molecular FormulaC7H6Cl3Si
Molecular Weight224.57 g/mol
Exact Mass222.93
IUPAC Name—
SMILESClC(c1ccccc1)[Si](Cl)Cl
InChIInChI=1S/C7H6Cl3Si/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7H
InChIKeyIPMXKZUOBJOCJC-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 53.47
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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[(1R)-1-chloroethyl]benzene
CID 642190
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CID 157063786
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of CID 57277614?
The IUPAC name of CID 57277614 (CID 57277614) is not available.
What is the SMILES notation for CID 57277614?
The canonical SMILES for CID 57277614 is ClC(c1ccccc1)[Si](Cl)Cl.
What is the InChIKey of CID 57277614?
The InChIKey is IPMXKZUOBJOCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3Si/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of CID 57277614?
CID 57277614 has a molecular weight of 224.57 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57277614 is sourced from PubChem (CID 57277614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).