2-fluoro-2-trimethylsilylpropanedioic acid

C6H11FO4Si — CID 162515558

IUPAC2-fluoro-2-trimethylsilylpropanedioic acid
SMILESC[Si](C)(C)C(F)(C(=O)O)C(=O)O
InChIInChI=1S/C6H11FO4Si/c1-12(2,3)6(7,4(8)9)5(10)11/h1-3H3,(H,8,9)(H,10,11)
InChIKeyUYAYJKQIJSLENS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.74
Rot. Bonds3

About 2-fluoro-2-trimethylsilylpropanedioic acid

2-fluoro-2-trimethylsilylpropanedioic acid (PubChem CID 162515558) has the molecular formula C6H11FO4Si and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-fluoro-2-trimethylsilylpropanedioic acid.

Molecular Properties

Compound Name2-fluoro-2-trimethylsilylpropanedioic acid
PubChem CID162515558
Molecular FormulaC6H11FO4Si
Molecular Weight194.23 g/mol
Exact Mass194.04
IUPAC Name2-fluoro-2-trimethylsilylpropanedioic acid
SMILESC[Si](C)(C)C(F)(C(=O)O)C(=O)O
InChIInChI=1S/C6H11FO4Si/c1-12(2,3)6(7,4(8)9)5(10)11/h1-3H3,(H,8,9)(H,10,11)
InChIKeyUYAYJKQIJSLENS-UHFFFAOYSA-N
XLogP0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethylazanide;2,2,2-trifluoroacetic acid
CID 158033320
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
2,2-difluoropropanedioic acid
CID 10130002
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
methyl carbonochloridate;bis(2,2,2-trifluoroacetic acid)
CID 172751542

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-trimethylsilylpropanedioic acid?
The IUPAC name of 2-fluoro-2-trimethylsilylpropanedioic acid (CID 162515558) is 2-fluoro-2-trimethylsilylpropanedioic acid.
What is the SMILES notation for 2-fluoro-2-trimethylsilylpropanedioic acid?
The canonical SMILES for 2-fluoro-2-trimethylsilylpropanedioic acid is C[Si](C)(C)C(F)(C(=O)O)C(=O)O.
What is the InChIKey of 2-fluoro-2-trimethylsilylpropanedioic acid?
The InChIKey is UYAYJKQIJSLENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO4Si/c1-12(2,3)6(7,4(8)9)5(10)11/h1-3H3,(H,8,9)(H,10,11).
What are the key properties of 2-fluoro-2-trimethylsilylpropanedioic acid?
2-fluoro-2-trimethylsilylpropanedioic acid has a molecular weight of 194.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-trimethylsilylpropanedioic acid is sourced from PubChem (CID 162515558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).