[ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate

C9H17F3O2Si — CID 3670425

IUPAC[ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate
SMILESCC[Si](C)(CCC(F)(F)F)COC(C)=O
InChIInChI=1S/C9H17F3O2Si/c1-4-15(3,7-14-8(2)13)6-5-9(10,11)12/h4-7H2,1-3H3
InChIKeyDYLBFFZDTZGACP-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.14
Rot. Bonds5

About [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate

[ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate (PubChem CID 3670425) has the molecular formula C9H17F3O2Si and a molecular weight of 242.31 g/mol. Its IUPAC name is [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate.

Molecular Properties

Compound Name[ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate
PubChem CID3670425
Molecular FormulaC9H17F3O2Si
Molecular Weight242.31 g/mol
Exact Mass242.09
IUPAC Name[ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate
SMILESCC[Si](C)(CCC(F)(F)F)COC(C)=O
InChIInChI=1S/C9H17F3O2Si/c1-4-15(3,7-14-8(2)13)6-5-9(10,11)12/h4-7H2,1-3H3
InChIKeyDYLBFFZDTZGACP-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate?
The IUPAC name of [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate (CID 3670425) is [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate.
What is the SMILES notation for [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate?
The canonical SMILES for [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate is CC[Si](C)(CCC(F)(F)F)COC(C)=O.
What is the InChIKey of [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate?
The InChIKey is DYLBFFZDTZGACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2Si/c1-4-15(3,7-14-8(2)13)6-5-9(10,11)12/h4-7H2,1-3H3.
What are the key properties of [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate?
[ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate has a molecular weight of 242.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-methyl-(3,3,3-trifluoropropyl)silyl]methyl acetate is sourced from PubChem (CID 3670425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).