cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate

C11H20F2O2Si — CID 174136178

IUPACcyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate
SMILESCC(C[Si](C)(F)F)C(=O)OC1CCCCC1
InChIInChI=1S/C11H20F2O2Si/c1-9(8-16(2,12)13)11(14)15-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyMSOBFFZVJJAFCG-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.51
Rot. Bonds4

About cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate

cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate (PubChem CID 174136178) has the molecular formula C11H20F2O2Si and a molecular weight of 250.36 g/mol. Its IUPAC name is cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate.

Molecular Properties

Compound Namecyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate
PubChem CID174136178
Molecular FormulaC11H20F2O2Si
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Namecyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate
SMILESCC(C[Si](C)(F)F)C(=O)OC1CCCCC1
InChIInChI=1S/C11H20F2O2Si/c1-9(8-16(2,12)13)11(14)15-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyMSOBFFZVJJAFCG-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate?
The IUPAC name of cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate (CID 174136178) is cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate.
What is the SMILES notation for cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate?
The canonical SMILES for cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate is CC(C[Si](C)(F)F)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate?
The InChIKey is MSOBFFZVJJAFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2Si/c1-9(8-16(2,12)13)11(14)15-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate?
cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate has a molecular weight of 250.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate is sourced from PubChem (CID 174136178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).