2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone

C9H7F9O3Si — CID 89427471

IUPAC2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone
SMILESCCC[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C9H7F9O3Si/c1-2-3-22(4(19)7(10,11)12,5(20)8(13,14)15)6(21)9(16,17)18/h2-3H2,1H3
InChIKeyHVRQSEXYQIGISF-UHFFFAOYSA-N
MW362.22 g/mol
LogP2.86
Rot. Bonds5

About 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone

2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone (PubChem CID 89427471) has the molecular formula C9H7F9O3Si and a molecular weight of 362.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone
PubChem CID89427471
Molecular FormulaC9H7F9O3Si
Molecular Weight362.22 g/mol
Exact Mass362.00
IUPAC Name2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone
SMILESCCC[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C9H7F9O3Si/c1-2-3-22(4(19)7(10,11)12,5(20)8(13,14)15)6(21)9(16,17)18/h2-3H2,1H3
InChIKeyHVRQSEXYQIGISF-UHFFFAOYSA-N
XLogP2.86
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 52.86
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 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone (CID 89427471) is 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone is CCC[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone?
The InChIKey is HVRQSEXYQIGISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F9O3Si/c1-2-3-22(4(19)7(10,11)12,5(20)8(13,14)15)6(21)9(16,17)18/h2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone?
2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone has a molecular weight of 362.22 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[propyl-bis(2,2,2-trifluoroacetyl)silyl]ethanone is sourced from PubChem (CID 89427471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).