3-[difluoro(methyl)silyl]propyl benzoate

C11H14F2O2Si — CID 174136195

IUPAC3-[difluoro(methyl)silyl]propyl benzoate
SMILESC[Si](F)(F)CCCOC(=O)c1ccccc1
InChIInChI=1S/C11H14F2O2Si/c1-16(12,13)9-5-8-15-11(14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyBUBZXPUGWQWYKT-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.24
Rot. Bonds5

About 3-[difluoro(methyl)silyl]propyl benzoate

3-[difluoro(methyl)silyl]propyl benzoate (PubChem CID 174136195) has the molecular formula C11H14F2O2Si and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]propyl benzoate.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]propyl benzoate
PubChem CID174136195
Molecular FormulaC11H14F2O2Si
Molecular Weight244.31 g/mol
Exact Mass244.07
IUPAC Name3-[difluoro(methyl)silyl]propyl benzoate
SMILESC[Si](F)(F)CCCOC(=O)c1ccccc1
InChIInChI=1S/C11H14F2O2Si/c1-16(12,13)9-5-8-15-11(14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyBUBZXPUGWQWYKT-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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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Related Compounds

bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
(111C)butyl benzoate
CID 11994383
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
3-aminopropyl benzoate;ethane
CID 144783067
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
4,4-dimethylpentyl benzoate
CID 138733970
CID 172820816
CID 172820816
butyl benzoate;hexyl benzoate
CID 22163024
CID 162308343
CID 162308343
1,1'-biphenyl;butyl benzoate
CID 67401065

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methyl)silyl]propyl benzoate?
The IUPAC name of 3-[difluoro(methyl)silyl]propyl benzoate (CID 174136195) is 3-[difluoro(methyl)silyl]propyl benzoate.
What is the SMILES notation for 3-[difluoro(methyl)silyl]propyl benzoate?
The canonical SMILES for 3-[difluoro(methyl)silyl]propyl benzoate is C[Si](F)(F)CCCOC(=O)c1ccccc1.
What is the InChIKey of 3-[difluoro(methyl)silyl]propyl benzoate?
The InChIKey is BUBZXPUGWQWYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2Si/c1-16(12,13)9-5-8-15-11(14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 3-[difluoro(methyl)silyl]propyl benzoate?
3-[difluoro(methyl)silyl]propyl benzoate has a molecular weight of 244.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methyl)silyl]propyl benzoate is sourced from PubChem (CID 174136195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).