2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one

C12H15F7O2Si — CID 15503928

IUPAC2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one
SMILESC[Si](C)(C)OC1=C(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC1
InChIInChI=1S/C12H15F7O2Si/c1-22(2,3)21-8-6-4-5-7(8)9(20)10(13,14)11(15,16)12(17,18)19/h4-6H2,1-3H3
InChIKeyKNCVWKMCNMDWQE-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.68
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one

2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one (PubChem CID 15503928) has the molecular formula C12H15F7O2Si and a molecular weight of 352.32 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one
PubChem CID15503928
Molecular FormulaC12H15F7O2Si
Molecular Weight352.32 g/mol
Exact Mass352.07
IUPAC Name2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one
SMILESC[Si](C)(C)OC1=C(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC1
InChIInChI=1S/C12H15F7O2Si/c1-22(2,3)21-8-6-4-5-7(8)9(20)10(13,14)11(15,16)12(17,18)19/h4-6H2,1-3H3
InChIKeyKNCVWKMCNMDWQE-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one (CID 15503928) is 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one is C[Si](C)(C)OC1=C(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one?
The InChIKey is KNCVWKMCNMDWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F7O2Si/c1-22(2,3)21-8-6-4-5-7(8)9(20)10(13,14)11(15,16)12(17,18)19/h4-6H2,1-3H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one?
2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one has a molecular weight of 352.32 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-1-(2-trimethylsilyloxycyclopenten-1-yl)butan-1-one is sourced from PubChem (CID 15503928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).