trichloro-[(1S)-2-deuterio-1-phenylethyl]silane

C8H9Cl3Si — CID 10752581

IUPACtrichloro-[(1S)-2-deuterio-1-phenylethyl]silane
SMILES[2H]C[C@@H](c1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H9Cl3Si/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m0/s1/i1D
InChIKeyLPEPXQRITZMOPR-LAMPMEHRSA-N
MW240.61 g/mol
LogP3.98
Rot. Bonds3

About trichloro-[(1S)-2-deuterio-1-phenylethyl]silane

trichloro-[(1S)-2-deuterio-1-phenylethyl]silane (PubChem CID 10752581) has the molecular formula C8H9Cl3Si and a molecular weight of 240.61 g/mol. Its IUPAC name is trichloro-[(1S)-2-deuterio-1-phenylethyl]silane.

Molecular Properties

Compound Nametrichloro-[(1S)-2-deuterio-1-phenylethyl]silane
PubChem CID10752581
Molecular FormulaC8H9Cl3Si
Molecular Weight240.61 g/mol
Exact Mass238.96
IUPAC Nametrichloro-[(1S)-2-deuterio-1-phenylethyl]silane
SMILES[2H]C[C@@H](c1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H9Cl3Si/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m0/s1/i1D
InChIKeyLPEPXQRITZMOPR-LAMPMEHRSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 53.98
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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Related Compounds

trichloro(1-phenylbut-2-enyl)silane
CID 139646025
N,N-dimethyl-1-phenyl-1-trichlorosilylmethanamine
CID 12521902
ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane
CID 139763384
trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane
CID 22404166
2,2,2-trideuterio-1-phenylethanol
CID 15618819
[(1R)-1-chloroethyl]benzene
CID 642190
1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
dichloro(diphenyl)silane
CID 6627
1-phenylethylbenzene
CID 142851428
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of trichloro-[(1S)-2-deuterio-1-phenylethyl]silane?
The IUPAC name of trichloro-[(1S)-2-deuterio-1-phenylethyl]silane (CID 10752581) is trichloro-[(1S)-2-deuterio-1-phenylethyl]silane.
What is the SMILES notation for trichloro-[(1S)-2-deuterio-1-phenylethyl]silane?
The canonical SMILES for trichloro-[(1S)-2-deuterio-1-phenylethyl]silane is [2H]C[C@@H](c1ccccc1)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(1S)-2-deuterio-1-phenylethyl]silane?
The InChIKey is LPEPXQRITZMOPR-LAMPMEHRSA-N. The full InChI is InChI=1S/C8H9Cl3Si/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m0/s1/i1D.
What are the key properties of trichloro-[(1S)-2-deuterio-1-phenylethyl]silane?
trichloro-[(1S)-2-deuterio-1-phenylethyl]silane has a molecular weight of 240.61 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(1S)-2-deuterio-1-phenylethyl]silane is sourced from PubChem (CID 10752581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).