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

C11H22F2OSi — CID 11447724

IUPAC2,2-difluoro-1-tri(propan-2-yl)silylethanone
SMILESCC(C)[Si](C(=O)C(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H22F2OSi/c1-7(2)15(8(3)4,9(5)6)11(14)10(12)13/h7-10H,1-6H3
InChIKeyNXWPMQAQSPHWBO-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.04
Rot. Bonds5

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

2,2-difluoro-1-tri(propan-2-yl)silylethanone (PubChem CID 11447724) has the molecular formula C11H22F2OSi and a molecular weight of 236.38 g/mol. Its IUPAC name is 2,2-difluoro-1-tri(propan-2-yl)silylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-tri(propan-2-yl)silylethanone
PubChem CID11447724
Molecular FormulaC11H22F2OSi
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name2,2-difluoro-1-tri(propan-2-yl)silylethanone
SMILESCC(C)[Si](C(=O)C(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H22F2OSi/c1-7(2)15(8(3)4,9(5)6)11(14)10(12)13/h7-10H,1-6H3
InChIKeyNXWPMQAQSPHWBO-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.04
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-difluoro-1-tri(propan-2-yl)silylethanone?
The IUPAC name of 2,2-difluoro-1-tri(propan-2-yl)silylethanone (CID 11447724) is 2,2-difluoro-1-tri(propan-2-yl)silylethanone.
What is the SMILES notation for 2,2-difluoro-1-tri(propan-2-yl)silylethanone?
The canonical SMILES for 2,2-difluoro-1-tri(propan-2-yl)silylethanone is CC(C)[Si](C(=O)C(F)F)(C(C)C)C(C)C.
What is the InChIKey of 2,2-difluoro-1-tri(propan-2-yl)silylethanone?
The InChIKey is NXWPMQAQSPHWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2OSi/c1-7(2)15(8(3)4,9(5)6)11(14)10(12)13/h7-10H,1-6H3.
What are the key properties of 2,2-difluoro-1-tri(propan-2-yl)silylethanone?
2,2-difluoro-1-tri(propan-2-yl)silylethanone has a molecular weight of 236.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-tri(propan-2-yl)silylethanone is sourced from PubChem (CID 11447724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).