1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one

C17H25F3O2Si — CID 138978266

IUPAC1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one
SMILESCC(O[Si](C)(C)C(C)(C)C)c1ccc(C(=O)CC(F)(F)F)cc1
InChIInChI=1S/C17H25F3O2Si/c1-12(22-23(5,6)16(2,3)4)13-7-9-14(10-8-13)15(21)11-17(18,19)20/h7-10,12H,11H2,1-6H3
InChIKeyOPMOUZZRNPGYJA-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.90
Rot. Bonds5

About 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one

1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one (PubChem CID 138978266) has the molecular formula C17H25F3O2Si and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one
PubChem CID138978266
Molecular FormulaC17H25F3O2Si
Molecular Weight346.47 g/mol
Exact Mass346.16
IUPAC Name1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one
SMILESCC(O[Si](C)(C)C(C)(C)C)c1ccc(C(=O)CC(F)(F)F)cc1
InChIInChI=1S/C17H25F3O2Si/c1-12(22-23(5,6)16(2,3)4)13-7-9-14(10-8-13)15(21)11-17(18,19)20/h7-10,12H,11H2,1-6H3
InChIKeyOPMOUZZRNPGYJA-UHFFFAOYSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.90
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 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one (CID 138978266) is 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one is CC(O[Si](C)(C)C(C)(C)C)c1ccc(C(=O)CC(F)(F)F)cc1.
What is the InChIKey of 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one?
The InChIKey is OPMOUZZRNPGYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3O2Si/c1-12(22-23(5,6)16(2,3)4)13-7-9-14(10-8-13)15(21)11-17(18,19)20/h7-10,12H,11H2,1-6H3.
What are the key properties of 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one?
1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one has a molecular weight of 346.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 138978266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).