trichloromethylsilane;2,2,2-trifluoroacetic acid

C3H4Cl3F3O2Si — CID 174914882

IUPACtrichloromethylsilane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[SiH3]C(Cl)(Cl)Cl
InChIInChI=1S/C2HF3O2.CH3Cl3Si/c3-2(4,5)1(6)7;2-1(3,4)5/h(H,6,7);5H3
InChIKeyNDPOJZNVSOJQJZ-UHFFFAOYSA-N
MW263.50 g/mol
LogP1.31
Rot. Bonds

About trichloromethylsilane;2,2,2-trifluoroacetic acid

trichloromethylsilane;2,2,2-trifluoroacetic acid (PubChem CID 174914882) has the molecular formula C3H4Cl3F3O2Si and a molecular weight of 263.50 g/mol. Its IUPAC name is trichloromethylsilane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametrichloromethylsilane;2,2,2-trifluoroacetic acid
PubChem CID174914882
Molecular FormulaC3H4Cl3F3O2Si
Molecular Weight263.50 g/mol
Exact Mass261.90
IUPAC Nametrichloromethylsilane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[SiH3]C(Cl)(Cl)Cl
InChIInChI=1S/C2HF3O2.CH3Cl3Si/c3-2(4,5)1(6)7;2-1(3,4)5/h(H,6,7);5H3
InChIKeyNDPOJZNVSOJQJZ-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 51.31
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

azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
CID 159010746
CID 159010746
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301

Frequently Asked Questions

What is the IUPAC name of trichloromethylsilane;2,2,2-trifluoroacetic acid?
The IUPAC name of trichloromethylsilane;2,2,2-trifluoroacetic acid (CID 174914882) is trichloromethylsilane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for trichloromethylsilane;2,2,2-trifluoroacetic acid?
The canonical SMILES for trichloromethylsilane;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[SiH3]C(Cl)(Cl)Cl.
What is the InChIKey of trichloromethylsilane;2,2,2-trifluoroacetic acid?
The InChIKey is NDPOJZNVSOJQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.CH3Cl3Si/c3-2(4,5)1(6)7;2-1(3,4)5/h(H,6,7);5H3.
What are the key properties of trichloromethylsilane;2,2,2-trifluoroacetic acid?
trichloromethylsilane;2,2,2-trifluoroacetic acid has a molecular weight of 263.50 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloromethylsilane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174914882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).