propan-2-olate;2,2,2-trichloroacetaldehyde

C5H8Cl3O2- — CID 86737204

IUPACpropan-2-olate;2,2,2-trichloroacetaldehyde
SMILESCC(C)[O-].O=CC(Cl)(Cl)Cl
InChIInChI=1S/C3H7O.C2HCl3O/c1-3(2)4;3-2(4,5)1-6/h3H,1-2H3;1H/q-1;
InChIKeyLTSYSRGYLMTZMP-UHFFFAOYSA-N
MW206.48 g/mol
LogP1.31
Rot. Bonds

About propan-2-olate;2,2,2-trichloroacetaldehyde

propan-2-olate;2,2,2-trichloroacetaldehyde (PubChem CID 86737204) has the molecular formula C5H8Cl3O2- and a molecular weight of 206.48 g/mol. Its IUPAC name is propan-2-olate;2,2,2-trichloroacetaldehyde.

Molecular Properties

Compound Namepropan-2-olate;2,2,2-trichloroacetaldehyde
PubChem CID86737204
Molecular FormulaC5H8Cl3O2-
Molecular Weight206.48 g/mol
Exact Mass204.96
IUPAC Namepropan-2-olate;2,2,2-trichloroacetaldehyde
SMILESCC(C)[O-].O=CC(Cl)(Cl)Cl
InChIInChI=1S/C3H7O.C2HCl3O/c1-3(2)4;3-2(4,5)1-6/h3H,1-2H3;1H/q-1;
InChIKeyLTSYSRGYLMTZMP-UHFFFAOYSA-N
XLogP1.31
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.48
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propan-2-one;2,2,2-trichloroacetaldehyde
CID 21290202
Acetaldehyde;2,2,2-trichloroacetaldehyde
CID 21388942
Butanal;2,2,2-trichloroacetaldehyde
CID 88701555
Pentane;2,2,2-trichloroacetaldehyde
CID 158785444
Butan-2-one;2,2,2-trichloroacetaldehyde
CID 159941514
Chloroform;propan-2-one;2,2,2-trichloroacetaldehyde
CID 160850226

Frequently Asked Questions

What is the IUPAC name of propan-2-olate;2,2,2-trichloroacetaldehyde?
The IUPAC name of propan-2-olate;2,2,2-trichloroacetaldehyde (CID 86737204) is propan-2-olate;2,2,2-trichloroacetaldehyde.
What is the SMILES notation for propan-2-olate;2,2,2-trichloroacetaldehyde?
The canonical SMILES for propan-2-olate;2,2,2-trichloroacetaldehyde is CC(C)[O-].O=CC(Cl)(Cl)Cl.
What is the InChIKey of propan-2-olate;2,2,2-trichloroacetaldehyde?
The InChIKey is LTSYSRGYLMTZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.C2HCl3O/c1-3(2)4;3-2(4,5)1-6/h3H,1-2H3;1H/q-1;.
What are the key properties of propan-2-olate;2,2,2-trichloroacetaldehyde?
propan-2-olate;2,2,2-trichloroacetaldehyde has a molecular weight of 206.48 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-olate;2,2,2-trichloroacetaldehyde is sourced from PubChem (CID 86737204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).