3-trifluorosilylpropyl 2-methylprop-2-enoate

C7H11F3O2Si — CID 19844512

IUPAC3-trifluorosilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](F)(F)F
InChIInChI=1S/C7H11F3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3
InChIKeyTXNXURBNOPFVPT-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.34
Rot. Bonds5

About 3-trifluorosilylpropyl 2-methylprop-2-enoate

3-trifluorosilylpropyl 2-methylprop-2-enoate (PubChem CID 19844512) has the molecular formula C7H11F3O2Si and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-trifluorosilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-trifluorosilylpropyl 2-methylprop-2-enoate
PubChem CID19844512
Molecular FormulaC7H11F3O2Si
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name3-trifluorosilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](F)(F)F
InChIInChI=1S/C7H11F3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3
InChIKeyTXNXURBNOPFVPT-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.34
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trifluorosilylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-trifluorosilylpropyl 2-methylprop-2-enoate (CID 19844512) is 3-trifluorosilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-trifluorosilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-trifluorosilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](F)(F)F.
What is the InChIKey of 3-trifluorosilylpropyl 2-methylprop-2-enoate?
The InChIKey is TXNXURBNOPFVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3.
What are the key properties of 3-trifluorosilylpropyl 2-methylprop-2-enoate?
3-trifluorosilylpropyl 2-methylprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trifluorosilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 19844512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).