3-[difluoro(phenyl)silyl]propyl acetate

C11H14F2O2Si — CID 174136211

IUPAC3-[difluoro(phenyl)silyl]propyl acetate
SMILESCC(=O)OCCC[Si](F)(F)c1ccccc1
InChIInChI=1S/C11H14F2O2Si/c1-10(14)15-8-5-9-16(12,13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYNRKESDXLSQETB-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.23
Rot. Bonds5

About 3-[difluoro(phenyl)silyl]propyl acetate

3-[difluoro(phenyl)silyl]propyl acetate (PubChem CID 174136211) has the molecular formula C11H14F2O2Si and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-[difluoro(phenyl)silyl]propyl acetate.

Molecular Properties

Compound Name3-[difluoro(phenyl)silyl]propyl acetate
PubChem CID174136211
Molecular FormulaC11H14F2O2Si
Molecular Weight244.31 g/mol
Exact Mass244.07
IUPAC Name3-[difluoro(phenyl)silyl]propyl acetate
SMILESCC(=O)OCCC[Si](F)(F)c1ccccc1
InChIInChI=1S/C11H14F2O2Si/c1-10(14)15-8-5-9-16(12,13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYNRKESDXLSQETB-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(phenyl)silyl]propyl acetate?
The IUPAC name of 3-[difluoro(phenyl)silyl]propyl acetate (CID 174136211) is 3-[difluoro(phenyl)silyl]propyl acetate.
What is the SMILES notation for 3-[difluoro(phenyl)silyl]propyl acetate?
The canonical SMILES for 3-[difluoro(phenyl)silyl]propyl acetate is CC(=O)OCCC[Si](F)(F)c1ccccc1.
What is the InChIKey of 3-[difluoro(phenyl)silyl]propyl acetate?
The InChIKey is YNRKESDXLSQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2Si/c1-10(14)15-8-5-9-16(12,13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 3-[difluoro(phenyl)silyl]propyl acetate?
3-[difluoro(phenyl)silyl]propyl acetate has a molecular weight of 244.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(phenyl)silyl]propyl acetate is sourced from PubChem (CID 174136211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).