[dimethyl(3,3,3-trifluoropropyl)silyl] butanoate

C9H17F3O2Si — CID 91718978

IUPAC[dimethyl(3,3,3-trifluoropropyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3O2Si/c1-4-5-8(13)14-15(2,3)7-6-9(10,11)12/h4-7H2,1-3H3
InChIKeySKNRKYZJVPBETQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.49
Rot. Bonds5

About [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate

[dimethyl(3,3,3-trifluoropropyl)silyl] butanoate (PubChem CID 91718978) has the molecular formula C9H17F3O2Si and a molecular weight of 242.31 g/mol. Its IUPAC name is [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate.

Molecular Properties

Compound Name[dimethyl(3,3,3-trifluoropropyl)silyl] butanoate
PubChem CID91718978
Molecular FormulaC9H17F3O2Si
Molecular Weight242.31 g/mol
Exact Mass242.09
IUPAC Name[dimethyl(3,3,3-trifluoropropyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3O2Si/c1-4-5-8(13)14-15(2,3)7-6-9(10,11)12/h4-7H2,1-3H3
InChIKeySKNRKYZJVPBETQ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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 [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate?
The IUPAC name of [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate (CID 91718978) is [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate.
What is the SMILES notation for [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate?
The canonical SMILES for [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate is CCCC(=O)O[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate?
The InChIKey is SKNRKYZJVPBETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2Si/c1-4-5-8(13)14-15(2,3)7-6-9(10,11)12/h4-7H2,1-3H3.
What are the key properties of [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate?
[dimethyl(3,3,3-trifluoropropyl)silyl] butanoate has a molecular weight of 242.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(3,3,3-trifluoropropyl)silyl] butanoate is sourced from PubChem (CID 91718978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).