2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone

C11H21F3OSi — CID 18454915

IUPAC2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone
SMILESCC(C)[Si](C(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3OSi/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14/h7-9H,1-6H3
InChIKeyNIKDAINZZTWIQP-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.34
Rot. Bonds4

About 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone

2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone (PubChem CID 18454915) has the molecular formula C11H21F3OSi and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone
PubChem CID18454915
Molecular FormulaC11H21F3OSi
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone
SMILESCC(C)[Si](C(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3OSi/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14/h7-9H,1-6H3
InChIKeyNIKDAINZZTWIQP-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone?
The IUPAC name of 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone (CID 18454915) is 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone is CC(C)[Si](C(=O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone?
The InChIKey is NIKDAINZZTWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3OSi/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14/h7-9H,1-6H3.
What are the key properties of 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone?
2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone has a molecular weight of 254.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone is sourced from PubChem (CID 18454915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).