trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane

C8H8Cl3NO2Si — CID 10636842

IUPACtrichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
SMILESC[C@@H](c1cccc([N+](=O)[O-])c1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl3NO2Si/c1-6(15(9,10)11)7-3-2-4-8(5-7)12(13)14/h2-6H,1H3/t6-/m0/s1
InChIKeyPDOHJHQIJGSBCJ-LURJTMIESA-N
MW284.60 g/mol
LogP3.89
Rot. Bonds3

About trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane

trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane (PubChem CID 10636842) has the molecular formula C8H8Cl3NO2Si and a molecular weight of 284.60 g/mol. Its IUPAC name is trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane.

Molecular Properties

Compound Nametrichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
PubChem CID10636842
Molecular FormulaC8H8Cl3NO2Si
Molecular Weight284.60 g/mol
Exact Mass282.94
IUPAC Nametrichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
SMILESC[C@@H](c1cccc([N+](=O)[O-])c1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl3NO2Si/c1-6(15(9,10)11)7-3-2-4-8(5-7)12(13)14/h2-6H,1H3/t6-/m0/s1
InChIKeyPDOHJHQIJGSBCJ-LURJTMIESA-N
XLogP3.89
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane?
The IUPAC name of trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane (CID 10636842) is trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane.
What is the SMILES notation for trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane?
The canonical SMILES for trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane is C[C@@H](c1cccc([N+](=O)[O-])c1)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane?
The InChIKey is PDOHJHQIJGSBCJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H8Cl3NO2Si/c1-6(15(9,10)11)7-3-2-4-8(5-7)12(13)14/h2-6H,1H3/t6-/m0/s1.
What are the key properties of trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane?
trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane has a molecular weight of 284.60 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane is sourced from PubChem (CID 10636842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).