3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one

C14H19F3OSi — CID 57041103

IUPAC3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one
SMILESC[Si](C)(C)c1ccc(C(=O)C(CF)(CF)CF)cc1
InChIInChI=1S/C14H19F3OSi/c1-19(2,3)12-6-4-11(5-7-12)13(18)14(8-15,9-16)10-17/h4-7H,8-10H2,1-3H3
InChIKeyLRHPVEDJLLPNTJ-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.31
Rot. Bonds6

About 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one

3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one (PubChem CID 57041103) has the molecular formula C14H19F3OSi and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one.

Molecular Properties

Compound Name3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one
PubChem CID57041103
Molecular FormulaC14H19F3OSi
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one
SMILESC[Si](C)(C)c1ccc(C(=O)C(CF)(CF)CF)cc1
InChIInChI=1S/C14H19F3OSi/c1-19(2,3)12-6-4-11(5-7-12)13(18)14(8-15,9-16)10-17/h4-7H,8-10H2,1-3H3
InChIKeyLRHPVEDJLLPNTJ-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.31
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 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one?
The IUPAC name of 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one (CID 57041103) is 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one.
What is the SMILES notation for 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one?
The canonical SMILES for 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one is C[Si](C)(C)c1ccc(C(=O)C(CF)(CF)CF)cc1.
What is the InChIKey of 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one?
The InChIKey is LRHPVEDJLLPNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3OSi/c1-19(2,3)12-6-4-11(5-7-12)13(18)14(8-15,9-16)10-17/h4-7H,8-10H2,1-3H3.
What are the key properties of 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one?
3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one has a molecular weight of 288.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-bis(fluoromethyl)-1-(4-trimethylsilylphenyl)propan-1-one is sourced from PubChem (CID 57041103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).