ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate

C12H22F2O3Si — CID 102120781

IUPACethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate
SMILESCCOC(=O)CC(O[Si](CC)(CC)CC)=C(F)F
InChIInChI=1S/C12H22F2O3Si/c1-5-16-11(15)9-10(12(13)14)17-18(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyZCYYZGWWMIAUCQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.07
Rot. Bonds8

About ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate

ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate (PubChem CID 102120781) has the molecular formula C12H22F2O3Si and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate.

Molecular Properties

Compound Nameethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate
PubChem CID102120781
Molecular FormulaC12H22F2O3Si
Molecular Weight280.39 g/mol
Exact Mass280.13
IUPAC Nameethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate
SMILESCCOC(=O)CC(O[Si](CC)(CC)CC)=C(F)F
InChIInChI=1S/C12H22F2O3Si/c1-5-16-11(15)9-10(12(13)14)17-18(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyZCYYZGWWMIAUCQ-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate?
The IUPAC name of ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate (CID 102120781) is ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate.
What is the SMILES notation for ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate?
The canonical SMILES for ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate is CCOC(=O)CC(O[Si](CC)(CC)CC)=C(F)F.
What is the InChIKey of ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate?
The InChIKey is ZCYYZGWWMIAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O3Si/c1-5-16-11(15)9-10(12(13)14)17-18(6-2,7-3)8-4/h5-9H2,1-4H3.
What are the key properties of ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate?
ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate has a molecular weight of 280.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-difluoro-3-triethylsilyloxybut-3-enoate is sourced from PubChem (CID 102120781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).