tri(propan-2-yl)silyl 2,2,2-trifluoroacetate

C11H21F3O2Si — CID 14468081

IUPACtri(propan-2-yl)silyl 2,2,2-trifluoroacetate
SMILESCC(C)[Si](OC(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3O2Si/c1-7(2)17(8(3)4,9(5)6)16-10(15)11(12,13)14/h7-9H,1-6H3
InChIKeyFXCXOYWBBDHGSX-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.27
Rot. Bonds4

About tri(propan-2-yl)silyl 2,2,2-trifluoroacetate

tri(propan-2-yl)silyl 2,2,2-trifluoroacetate (PubChem CID 14468081) has the molecular formula C11H21F3O2Si and a molecular weight of 270.37 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 2,2,2-trifluoroacetate
PubChem CID14468081
Molecular FormulaC11H21F3O2Si
Molecular Weight270.37 g/mol
Exact Mass270.13
IUPAC Nametri(propan-2-yl)silyl 2,2,2-trifluoroacetate
SMILESCC(C)[Si](OC(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3O2Si/c1-7(2)17(8(3)4,9(5)6)16-10(15)11(12,13)14/h7-9H,1-6H3
InChIKeyFXCXOYWBBDHGSX-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.27
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 tri(propan-2-yl)silyl 2,2,2-trifluoroacetate?
The IUPAC name of tri(propan-2-yl)silyl 2,2,2-trifluoroacetate (CID 14468081) is tri(propan-2-yl)silyl 2,2,2-trifluoroacetate.
What is the SMILES notation for tri(propan-2-yl)silyl 2,2,2-trifluoroacetate?
The canonical SMILES for tri(propan-2-yl)silyl 2,2,2-trifluoroacetate is CC(C)[Si](OC(=O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl 2,2,2-trifluoroacetate?
The InChIKey is FXCXOYWBBDHGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2Si/c1-7(2)17(8(3)4,9(5)6)16-10(15)11(12,13)14/h7-9H,1-6H3.
What are the key properties of tri(propan-2-yl)silyl 2,2,2-trifluoroacetate?
tri(propan-2-yl)silyl 2,2,2-trifluoroacetate has a molecular weight of 270.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 14468081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).