cyclohexyl 2-methyl-3-trifluorosilylpropanoate

C10H17F3O2Si — CID 174136081

IUPACcyclohexyl 2-methyl-3-trifluorosilylpropanoate
SMILESCC(C[Si](F)(F)F)C(=O)OC1CCCCC1
InChIInChI=1S/C10H17F3O2Si/c1-8(7-16(11,12)13)10(14)15-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyMVVLEYHPHLYWGE-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.35
Rot. Bonds4

About cyclohexyl 2-methyl-3-trifluorosilylpropanoate

cyclohexyl 2-methyl-3-trifluorosilylpropanoate (PubChem CID 174136081) has the molecular formula C10H17F3O2Si and a molecular weight of 254.32 g/mol. Its IUPAC name is cyclohexyl 2-methyl-3-trifluorosilylpropanoate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-3-trifluorosilylpropanoate
PubChem CID174136081
Molecular FormulaC10H17F3O2Si
Molecular Weight254.32 g/mol
Exact Mass254.09
IUPAC Namecyclohexyl 2-methyl-3-trifluorosilylpropanoate
SMILESCC(C[Si](F)(F)F)C(=O)OC1CCCCC1
InChIInChI=1S/C10H17F3O2Si/c1-8(7-16(11,12)13)10(14)15-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyMVVLEYHPHLYWGE-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.35
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 2-methyl-3-trifluorosilylpropanoate?
The IUPAC name of cyclohexyl 2-methyl-3-trifluorosilylpropanoate (CID 174136081) is cyclohexyl 2-methyl-3-trifluorosilylpropanoate.
What is the SMILES notation for cyclohexyl 2-methyl-3-trifluorosilylpropanoate?
The canonical SMILES for cyclohexyl 2-methyl-3-trifluorosilylpropanoate is CC(C[Si](F)(F)F)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methyl-3-trifluorosilylpropanoate?
The InChIKey is MVVLEYHPHLYWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2Si/c1-8(7-16(11,12)13)10(14)15-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of cyclohexyl 2-methyl-3-trifluorosilylpropanoate?
cyclohexyl 2-methyl-3-trifluorosilylpropanoate has a molecular weight of 254.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-3-trifluorosilylpropanoate is sourced from PubChem (CID 174136081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).