1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one

C11H21F3O2Si — CID 151934449

IUPAC1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one
SMILESCCCCCC(=O)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-5-6-7-8-9(15)10(11(12,13)14)16-17(2,3)4/h10H,5-8H2,1-4H3
InChIKeySZMIKRRXIKHKME-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.92
Rot. Bonds7

About 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one

1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one (PubChem CID 151934449) has the molecular formula C11H21F3O2Si and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one.

Molecular Properties

Compound Name1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one
PubChem CID151934449
Molecular FormulaC11H21F3O2Si
Molecular Weight270.37 g/mol
Exact Mass270.13
IUPAC Name1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one
SMILESCCCCCC(=O)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-5-6-7-8-9(15)10(11(12,13)14)16-17(2,3)4/h10H,5-8H2,1-4H3
InChIKeySZMIKRRXIKHKME-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-2-trimethylsilyloxyheptan-3-one
CID 150772658
1,1,1-Trifluoro-7-trimethylsilyloxyheptan-2-one
CID 15084333
1,1,1-Trifluoro-2-trimethylsilyloxyundecan-3-one
CID 149739378
2-[(Trimethylsilyl)oxy]cyclooctan-1-one
CID 12608296
1-Trimethylsilyloxyheptan-2-one
CID 18622724
6-Trimethylsilyloxyoctane-3,5-dione
CID 141139006
1-Trimethylsilyloxyoctan-2-one
CID 169084631
2-Trimethylsilyloxycyclododecan-1-one
CID 11288709
6-Trimethylsilyloxydecan-5-one
CID 101053254

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one?
The IUPAC name of 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one (CID 151934449) is 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one.
What is the SMILES notation for 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one?
The canonical SMILES for 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one is CCCCCC(=O)C(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one?
The InChIKey is SZMIKRRXIKHKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2Si/c1-5-6-7-8-9(15)10(11(12,13)14)16-17(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one?
1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one has a molecular weight of 270.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-trimethylsilyloxyoctan-3-one is sourced from PubChem (CID 151934449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).