4-trifluorosilylbutyl but-2-enoate

C8H13F3O2Si — CID 174106149

IUPAC4-trifluorosilylbutyl but-2-enoate
SMILESCC=CC(=O)OCCCC[Si](F)(F)F
InChIInChI=1S/C8H13F3O2Si/c1-2-5-8(12)13-6-3-4-7-14(9,10)11/h2,5H,3-4,6-7H2,1H3
InChIKeyUIVOFPATHBXCOL-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.73
Rot. Bonds6

About 4-trifluorosilylbutyl but-2-enoate

4-trifluorosilylbutyl but-2-enoate (PubChem CID 174106149) has the molecular formula C8H13F3O2Si and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-trifluorosilylbutyl but-2-enoate.

Molecular Properties

Compound Name4-trifluorosilylbutyl but-2-enoate
PubChem CID174106149
Molecular FormulaC8H13F3O2Si
Molecular Weight226.27 g/mol
Exact Mass226.06
IUPAC Name4-trifluorosilylbutyl but-2-enoate
SMILESCC=CC(=O)OCCCC[Si](F)(F)F
InChIInChI=1S/C8H13F3O2Si/c1-2-5-8(12)13-6-3-4-7-14(9,10)11/h2,5H,3-4,6-7H2,1H3
InChIKeyUIVOFPATHBXCOL-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.73
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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Related Compounds

4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-trichlorosilyloctyl but-2-enoate
CID 174105922
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
5-trifluorosilylpentyl prop-2-enoate
CID 156681471
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897

Frequently Asked Questions

What is the IUPAC name of 4-trifluorosilylbutyl but-2-enoate?
The IUPAC name of 4-trifluorosilylbutyl but-2-enoate (CID 174106149) is 4-trifluorosilylbutyl but-2-enoate.
What is the SMILES notation for 4-trifluorosilylbutyl but-2-enoate?
The canonical SMILES for 4-trifluorosilylbutyl but-2-enoate is CC=CC(=O)OCCCC[Si](F)(F)F.
What is the InChIKey of 4-trifluorosilylbutyl but-2-enoate?
The InChIKey is UIVOFPATHBXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2Si/c1-2-5-8(12)13-6-3-4-7-14(9,10)11/h2,5H,3-4,6-7H2,1H3.
What are the key properties of 4-trifluorosilylbutyl but-2-enoate?
4-trifluorosilylbutyl but-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trifluorosilylbutyl but-2-enoate is sourced from PubChem (CID 174106149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).