1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one

C10H19F3O2Si — CID 15084333

IUPAC1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one
SMILESC[Si](C)(C)OCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3O2Si/c1-16(2,3)15-8-6-4-5-7-9(14)10(11,12)13/h4-8H2,1-3H3
InChIKeyYAVDEBZGVLSJHP-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.53
Rot. Bonds7

About 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one

1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one (PubChem CID 15084333) has the molecular formula C10H19F3O2Si and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one
PubChem CID15084333
Molecular FormulaC10H19F3O2Si
Molecular Weight256.34 g/mol
Exact Mass256.11
IUPAC Name1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one
SMILESC[Si](C)(C)OCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3O2Si/c1-16(2,3)15-8-6-4-5-7-9(14)10(11,12)13/h4-8H2,1-3H3
InChIKeyYAVDEBZGVLSJHP-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one
CID 19793848
1,1,1-Trifluoro-2-trimethylsilyloxyheptan-3-one
CID 150772658
1,1,1-Trifluoro-2-trimethylsilyloxyoctan-3-one
CID 151934449
13-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one
CID 25150084
1,1,1-Trifluoro-2-trimethylsilyloxyundecan-3-one
CID 149739378
1-Trimethylsilyloxyheptan-2-one
CID 18622724
7-Triethylsilyloxyheptan-2-one
CID 18622732
7-Trimethylsilyloxyheptan-3-one
CID 18622779
7-Trimethylsilyloxyheptan-2-one
CID 18622788
7-((tert-Butyldimethylsilyl)oxy)heptan-2-one
CID 88552309
7-[Tert-butyl(dimethyl)silyl]oxy-4,4,5,5,6,6-hexadeuterioheptan-2-one
CID 88552312

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one?
The IUPAC name of 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one (CID 15084333) is 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one?
The canonical SMILES for 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one is C[Si](C)(C)OCCCCCC(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one?
The InChIKey is YAVDEBZGVLSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2Si/c1-16(2,3)15-8-6-4-5-7-9(14)10(11,12)13/h4-8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one?
1,1,1-trifluoro-7-trimethylsilyloxyheptan-2-one has a molecular weight of 256.34 g/mol, XLogP of 3.53, 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-7-trimethylsilyloxyheptan-2-one is sourced from PubChem (CID 15084333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).