trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate

C9H10F10O2Si — CID 91697410

IUPACtrimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate
SMILESC[Si](C)(C)OC(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O2Si/c1-22(2,3)21-5(20)4(7(12,13)14)6(10,11)8(15,16)9(17,18)19/h4H,1-3H3
InChIKeyIZDOQWCGLJKJPT-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.38
Rot. Bonds4

About trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate

trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate (PubChem CID 91697410) has the molecular formula C9H10F10O2Si and a molecular weight of 368.24 g/mol. Its IUPAC name is trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate
PubChem CID91697410
Molecular FormulaC9H10F10O2Si
Molecular Weight368.24 g/mol
Exact Mass368.03
IUPAC Nametrimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate
SMILESC[Si](C)(C)OC(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O2Si/c1-22(2,3)21-5(20)4(7(12,13)14)6(10,11)8(15,16)9(17,18)19/h4H,1-3H3
InChIKeyIZDOQWCGLJKJPT-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
4-Methylvaleric acid, dimethyl(3,3,3-trifluoropropyl)silyl ester
CID 91694224
4-Methylvaleric acid, trimethylsilyl ester
CID 554430
Trimethylsilyl 4,4,4-trifluoro-3-methylbutanoate
CID 173561941
Trimethylsilyl nonafluoropentanoate
CID 99770887

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate?
The IUPAC name of trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate (CID 91697410) is trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate.
What is the SMILES notation for trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate?
The canonical SMILES for trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate is C[Si](C)(C)OC(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate?
The InChIKey is IZDOQWCGLJKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F10O2Si/c1-22(2,3)21-5(20)4(7(12,13)14)6(10,11)8(15,16)9(17,18)19/h4H,1-3H3.
What are the key properties of trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate?
trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate has a molecular weight of 368.24 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate is sourced from PubChem (CID 91697410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).