1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one

C9H19F3OSi2 — CID 553357

IUPAC1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one
SMILESC[Si](C)(C)C(C(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C9H19F3OSi2/c1-14(2,3)8(15(4,5)6)7(13)9(10,11)12/h8H,1-6H3
InChIKeyPMRCAMOODHJSSR-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.70
Rot. Bonds3

About 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one

1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one (PubChem CID 553357) has the molecular formula C9H19F3OSi2 and a molecular weight of 256.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one
PubChem CID553357
Molecular FormulaC9H19F3OSi2
Molecular Weight256.42 g/mol
Exact Mass256.09
IUPAC Name1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one
SMILESC[Si](C)(C)C(C(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C9H19F3OSi2/c1-14(2,3)8(15(4,5)6)7(13)9(10,11)12/h8H,1-6H3
InChIKeyPMRCAMOODHJSSR-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one (CID 553357) is 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one is C[Si](C)(C)C(C(=O)C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one?
The InChIKey is PMRCAMOODHJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3OSi2/c1-14(2,3)8(15(4,5)6)7(13)9(10,11)12/h8H,1-6H3.
What are the key properties of 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one?
1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one has a molecular weight of 256.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-bis(trimethylsilyl)propan-2-one is sourced from PubChem (CID 553357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).