3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate

C7H12BrF3O4Si — CID 87294168

IUPAC3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate
SMILESCO[Si](Br)(CCCOC(=O)C(F)(F)F)OC
InChIInChI=1S/C7H12BrF3O4Si/c1-13-16(8,14-2)5-3-4-15-6(12)7(9,10)11/h3-5H2,1-2H3
InChIKeyKVZFPELRKHQCCG-UHFFFAOYSA-N
MW325.15 g/mol
LogP2.11
Rot. Bonds6

About 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate

3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate (PubChem CID 87294168) has the molecular formula C7H12BrF3O4Si and a molecular weight of 325.15 g/mol. Its IUPAC name is 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate
PubChem CID87294168
Molecular FormulaC7H12BrF3O4Si
Molecular Weight325.15 g/mol
Exact Mass323.96
IUPAC Name3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate
SMILESCO[Si](Br)(CCCOC(=O)C(F)(F)F)OC
InChIInChI=1S/C7H12BrF3O4Si/c1-13-16(8,14-2)5-3-4-15-6(12)7(9,10)11/h3-5H2,1-2H3
InChIKeyKVZFPELRKHQCCG-UHFFFAOYSA-N
XLogP2.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tribromosilylpropyl 2,2,2-trifluoroacetate
CID 87294276
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219
3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 59476731
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
sodium;dodecyl 2,2,2-trifluoroacetate;hydride
CID 175457015
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
CID 88924333
[(E)-hex-4-enyl] 2,2,2-trifluoroacetate
CID 91694359
2-hydroxyethyl 2,2,2-trifluoroacetate;silver
CID 174706252

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate?
The IUPAC name of 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate (CID 87294168) is 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate?
The canonical SMILES for 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate is CO[Si](Br)(CCCOC(=O)C(F)(F)F)OC.
What is the InChIKey of 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate?
The InChIKey is KVZFPELRKHQCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF3O4Si/c1-13-16(8,14-2)5-3-4-15-6(12)7(9,10)11/h3-5H2,1-2H3.
What are the key properties of 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate?
3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate has a molecular weight of 325.15 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 87294168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).