propan-2-ylsilane;2,2,2-trichloroacetic acid

C5H11Cl3O2Si — CID 174846669

IUPACpropan-2-ylsilane;2,2,2-trichloroacetic acid
SMILESCC(C)[SiH3].O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C3H10Si.C2HCl3O2/c1-3(2)4;3-2(4,5)1(6)7/h3H,1-2,4H3;(H,6,7)
InChIKeyKHCUJMXZHOKUBZ-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.62
Rot. Bonds

About propan-2-ylsilane;2,2,2-trichloroacetic acid

propan-2-ylsilane;2,2,2-trichloroacetic acid (PubChem CID 174846669) has the molecular formula C5H11Cl3O2Si and a molecular weight of 237.59 g/mol. Its IUPAC name is propan-2-ylsilane;2,2,2-trichloroacetic acid.

Molecular Properties

Compound Namepropan-2-ylsilane;2,2,2-trichloroacetic acid
PubChem CID174846669
Molecular FormulaC5H11Cl3O2Si
Molecular Weight237.59 g/mol
Exact Mass235.96
IUPAC Namepropan-2-ylsilane;2,2,2-trichloroacetic acid
SMILESCC(C)[SiH3].O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C3H10Si.C2HCl3O2/c1-3(2)4;3-2(4,5)1(6)7/h3H,1-2,4H3;(H,6,7)
InChIKeyKHCUJMXZHOKUBZ-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
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propan-2-amine;2,2,2-trichloroacetic acid;2,2,3-trichloropropanoic acid
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2,2,3-trichloro-3-methylbutanoic acid
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prop-2-enoic acid;2,2,2-trichloroacetic acid
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CID 6330354
CID 6330354
2-bromo-2-chloropropanoic acid
CID 523004
3,3,3-trichloro-2,2-dihydroxypropanoic acid
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Frequently Asked Questions

What is the IUPAC name of propan-2-ylsilane;2,2,2-trichloroacetic acid?
The IUPAC name of propan-2-ylsilane;2,2,2-trichloroacetic acid (CID 174846669) is propan-2-ylsilane;2,2,2-trichloroacetic acid.
What is the SMILES notation for propan-2-ylsilane;2,2,2-trichloroacetic acid?
The canonical SMILES for propan-2-ylsilane;2,2,2-trichloroacetic acid is CC(C)[SiH3].O=C(O)C(Cl)(Cl)Cl.
What is the InChIKey of propan-2-ylsilane;2,2,2-trichloroacetic acid?
The InChIKey is KHCUJMXZHOKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10Si.C2HCl3O2/c1-3(2)4;3-2(4,5)1(6)7/h3H,1-2,4H3;(H,6,7).
What are the key properties of propan-2-ylsilane;2,2,2-trichloroacetic acid?
propan-2-ylsilane;2,2,2-trichloroacetic acid has a molecular weight of 237.59 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsilane;2,2,2-trichloroacetic acid is sourced from PubChem (CID 174846669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).