3-trimethylsilylprop-2-ynyl 2-fluoroacetate

C8H13FO2Si — CID 162460082

IUPAC3-trimethylsilylprop-2-ynyl 2-fluoroacetate
SMILESC[Si](C)(C)C#CCOC(=O)CF
InChIInChI=1S/C8H13FO2Si/c1-12(2,3)6-4-5-11-8(10)7-9/h5,7H2,1-3H3
InChIKeyQIPUIERAGQZWBH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.38
Rot. Bonds2

About 3-trimethylsilylprop-2-ynyl 2-fluoroacetate

3-trimethylsilylprop-2-ynyl 2-fluoroacetate (PubChem CID 162460082) has the molecular formula C8H13FO2Si and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynyl 2-fluoroacetate.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynyl 2-fluoroacetate
PubChem CID162460082
Molecular FormulaC8H13FO2Si
Molecular Weight188.27 g/mol
Exact Mass188.07
IUPAC Name3-trimethylsilylprop-2-ynyl 2-fluoroacetate
SMILESC[Si](C)(C)C#CCOC(=O)CF
InChIInChI=1S/C8H13FO2Si/c1-12(2,3)6-4-5-11-8(10)7-9/h5,7H2,1-3H3
InChIKeyQIPUIERAGQZWBH-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylprop-2-ynyl 2-fluoroacetate?
The IUPAC name of 3-trimethylsilylprop-2-ynyl 2-fluoroacetate (CID 162460082) is 3-trimethylsilylprop-2-ynyl 2-fluoroacetate.
What is the SMILES notation for 3-trimethylsilylprop-2-ynyl 2-fluoroacetate?
The canonical SMILES for 3-trimethylsilylprop-2-ynyl 2-fluoroacetate is C[Si](C)(C)C#CCOC(=O)CF.
What is the InChIKey of 3-trimethylsilylprop-2-ynyl 2-fluoroacetate?
The InChIKey is QIPUIERAGQZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2Si/c1-12(2,3)6-4-5-11-8(10)7-9/h5,7H2,1-3H3.
What are the key properties of 3-trimethylsilylprop-2-ynyl 2-fluoroacetate?
3-trimethylsilylprop-2-ynyl 2-fluoroacetate has a molecular weight of 188.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylprop-2-ynyl 2-fluoroacetate is sourced from PubChem (CID 162460082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).