2-fluoro-4-trimethylsilyloxypentan-3-one

C8H17FO2Si — CID 18740648

IUPAC2-fluoro-4-trimethylsilyloxypentan-3-one
SMILESCC(F)C(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C8H17FO2Si/c1-6(9)8(10)7(2)11-12(3,4)5/h6-7H,1-5H3
InChIKeyUOJFQUWZJVUPQH-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.15
Rot. Bonds4

About 2-fluoro-4-trimethylsilyloxypentan-3-one

2-fluoro-4-trimethylsilyloxypentan-3-one (PubChem CID 18740648) has the molecular formula C8H17FO2Si and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-fluoro-4-trimethylsilyloxypentan-3-one.

Molecular Properties

Compound Name2-fluoro-4-trimethylsilyloxypentan-3-one
PubChem CID18740648
Molecular FormulaC8H17FO2Si
Molecular Weight192.31 g/mol
Exact Mass192.10
IUPAC Name2-fluoro-4-trimethylsilyloxypentan-3-one
SMILESCC(F)C(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C8H17FO2Si/c1-6(9)8(10)7(2)11-12(3,4)5/h6-7H,1-5H3
InChIKeyUOJFQUWZJVUPQH-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetoin, TMS derivative
CID 12739199
1-Trimethylsilyloxybutan-2-one
CID 183037
3-Pentanone, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)-
CID 11009378
(2R)-2-{[tert-Butyl(dimethyl)silyl]oxy}pentan-3-one
CID 56590592
1-Triethylsilyloxybutan-2-one
CID 10965591
2-Trimethylsilyloxypentan-3-one
CID 13679516
1-Trimethylsilyloxypentan-2-one
CID 18622774
3-Tri(propan-2-yl)silyloxybutan-2-one
CID 123200674
3-Triethylsilyloxybutan-2-one
CID 157186572
(3S)-3-tri(propan-2-yl)silyloxybutan-2-one
CID 157456186
2-Trimethylsilyloxyhexan-3-one
CID 101843665
3-(Ethoxy-methyl-propylsilyl)oxybutan-2-one
CID 162234752

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-trimethylsilyloxypentan-3-one?
The IUPAC name of 2-fluoro-4-trimethylsilyloxypentan-3-one (CID 18740648) is 2-fluoro-4-trimethylsilyloxypentan-3-one.
What is the SMILES notation for 2-fluoro-4-trimethylsilyloxypentan-3-one?
The canonical SMILES for 2-fluoro-4-trimethylsilyloxypentan-3-one is CC(F)C(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of 2-fluoro-4-trimethylsilyloxypentan-3-one?
The InChIKey is UOJFQUWZJVUPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2Si/c1-6(9)8(10)7(2)11-12(3,4)5/h6-7H,1-5H3.
What are the key properties of 2-fluoro-4-trimethylsilyloxypentan-3-one?
2-fluoro-4-trimethylsilyloxypentan-3-one has a molecular weight of 192.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-trimethylsilyloxypentan-3-one is sourced from PubChem (CID 18740648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).