1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one

C10H19F3O2Si — CID 150772658

IUPAC1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one
SMILESCCCCC(=O)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O2Si/c1-5-6-7-8(14)9(10(11,12)13)15-16(2,3)4/h9H,5-7H2,1-4H3
InChIKeyKAEPXRQGCYCIHG-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.53
Rot. Bonds6

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

1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one (PubChem CID 150772658) has the molecular formula C10H19F3O2Si and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one.

Molecular Properties

Compound Name1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one
PubChem CID150772658
Molecular FormulaC10H19F3O2Si
Molecular Weight256.34 g/mol
Exact Mass256.11
IUPAC Name1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one
SMILESCCCCC(=O)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O2Si/c1-5-6-7-8(14)9(10(11,12)13)15-16(2,3)4/h9H,5-7H2,1-4H3
InChIKeyKAEPXRQGCYCIHG-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.53
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

1-Trimethylsilyloxyhexan-2-one
CID 13610760
1,1,1-Trifluoro-2-trimethylsilyloxyoctan-3-one
CID 151934449
1,1,1-Trifluoro-7-trimethylsilyloxyheptan-2-one
CID 15084333
1,1,1-Trifluoro-2-trimethylsilyloxyundecan-3-one
CID 149739378
2-Trimethylsilyloxyheptane-3,5-dione
CID 86260727
5-Trimethylsilyloxyoctan-4-one
CID 11413292
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-one
CID 13570199
6-Trimethylsilyloxydecan-5-one
CID 101053254
(2S)-2-triethylsilyloxyheptan-3-one
CID 101800485

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one?
The IUPAC name of 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one (CID 150772658) is 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one.
What is the SMILES notation for 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one?
The canonical SMILES for 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one is CCCCC(=O)C(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one?
The InChIKey is KAEPXRQGCYCIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2Si/c1-5-6-7-8(14)9(10(11,12)13)15-16(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one?
1,1,1-trifluoro-2-trimethylsilyloxyheptan-3-one has a molecular weight of 256.34 g/mol, XLogP of 3.53, 6 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-trimethylsilyloxyheptan-3-one is sourced from PubChem (CID 150772658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).