1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone

C9H10F6O3Si — CID 89427600

IUPAC1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone
SMILESCCC[Si](C(=O)C(F)F)(C(=O)C(F)F)C(=O)C(F)F
InChIInChI=1S/C9H10F6O3Si/c1-2-3-19(7(16)4(10)11,8(17)5(12)13)9(18)6(14)15/h4-6H,2-3H2,1H3
InChIKeyBEHIDANEAYDVRU-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.97
Rot. Bonds8

About 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone

1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone (PubChem CID 89427600) has the molecular formula C9H10F6O3Si and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone
PubChem CID89427600
Molecular FormulaC9H10F6O3Si
Molecular Weight308.25 g/mol
Exact Mass308.03
IUPAC Name1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone
SMILESCCC[Si](C(=O)C(F)F)(C(=O)C(F)F)C(=O)C(F)F
InChIInChI=1S/C9H10F6O3Si/c1-2-3-19(7(16)4(10)11,8(17)5(12)13)9(18)6(14)15/h4-6H,2-3H2,1H3
InChIKeyBEHIDANEAYDVRU-UHFFFAOYSA-N
XLogP1.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone?
The IUPAC name of 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone (CID 89427600) is 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone?
The canonical SMILES for 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone is CCC[Si](C(=O)C(F)F)(C(=O)C(F)F)C(=O)C(F)F.
What is the InChIKey of 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone?
The InChIKey is BEHIDANEAYDVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O3Si/c1-2-3-19(7(16)4(10)11,8(17)5(12)13)9(18)6(14)15/h4-6H,2-3H2,1H3.
What are the key properties of 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone?
1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone has a molecular weight of 308.25 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone is sourced from PubChem (CID 89427600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).