2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone

C15H24F3NOSi — CID 14890894

IUPAC2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C15H24F3NOSi/c1-10(2)21(11(3)4,12(5)6)19-8-7-13(9-19)14(20)15(16,17)18/h7-12H,1-6H3
InChIKeyNDWKCTCUEMITEU-UHFFFAOYSA-N
MW319.44 g/mol
LogP5.26
Rot. Bonds5

About 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone

2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone (PubChem CID 14890894) has the molecular formula C15H24F3NOSi and a molecular weight of 319.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone
PubChem CID14890894
Molecular FormulaC15H24F3NOSi
Molecular Weight319.44 g/mol
Exact Mass319.16
IUPAC Name2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C15H24F3NOSi/c1-10(2)21(11(3)4,12(5)6)19-8-7-13(9-19)14(20)15(16,17)18/h7-12H,1-6H3
InChIKeyNDWKCTCUEMITEU-UHFFFAOYSA-N
XLogP5.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.44
LogP ≤ 55.26
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 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone (CID 14890894) is 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone is CC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone?
The InChIKey is NDWKCTCUEMITEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NOSi/c1-10(2)21(11(3)4,12(5)6)19-8-7-13(9-19)14(20)15(16,17)18/h7-12H,1-6H3.
What are the key properties of 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone?
2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone has a molecular weight of 319.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethanone is sourced from PubChem (CID 14890894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).