3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one

C17H20F2O2Si — CID 10663630

IUPAC3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one
SMILESCC(=O)C(F)(F)C(O[Si](C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20F2O2Si/c1-12(20)17(18,19)16(21-22(2,3)4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16H,1-4H3
InChIKeyJWNBLVLRKGGGGM-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.96
Rot. Bonds5

About 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one

3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one (PubChem CID 10663630) has the molecular formula C17H20F2O2Si and a molecular weight of 322.43 g/mol. Its IUPAC name is 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one
PubChem CID10663630
Molecular FormulaC17H20F2O2Si
Molecular Weight322.43 g/mol
Exact Mass322.12
IUPAC Name3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one
SMILESCC(=O)C(F)(F)C(O[Si](C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20F2O2Si/c1-12(20)17(18,19)16(21-22(2,3)4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16H,1-4H3
InChIKeyJWNBLVLRKGGGGM-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one?
The IUPAC name of 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one (CID 10663630) is 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one.
What is the SMILES notation for 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one?
The canonical SMILES for 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one is CC(=O)C(F)(F)C(O[Si](C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one?
The InChIKey is JWNBLVLRKGGGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O2Si/c1-12(20)17(18,19)16(21-22(2,3)4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16H,1-4H3.
What are the key properties of 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one?
3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one has a molecular weight of 322.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one is sourced from PubChem (CID 10663630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).