triethoxysilyl 2-chloro-2,2-difluoroacetate

C8H15ClF2O5Si — CID 23523584

IUPACtriethoxysilyl 2-chloro-2,2-difluoroacetate
SMILESCCO[Si](OCC)(OCC)OC(=O)C(F)(F)Cl
InChIInChI=1S/C8H15ClF2O5Si/c1-4-13-17(14-5-2,15-6-3)16-7(12)8(9,10)11/h4-6H2,1-3H3
InChIKeyFBJNIQBUUINXHG-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.91
Rot. Bonds8

About triethoxysilyl 2-chloro-2,2-difluoroacetate

triethoxysilyl 2-chloro-2,2-difluoroacetate (PubChem CID 23523584) has the molecular formula C8H15ClF2O5Si and a molecular weight of 292.74 g/mol. Its IUPAC name is triethoxysilyl 2-chloro-2,2-difluoroacetate.

Molecular Properties

Compound Nametriethoxysilyl 2-chloro-2,2-difluoroacetate
PubChem CID23523584
Molecular FormulaC8H15ClF2O5Si
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Nametriethoxysilyl 2-chloro-2,2-difluoroacetate
SMILESCCO[Si](OCC)(OCC)OC(=O)C(F)(F)Cl
InChIInChI=1S/C8H15ClF2O5Si/c1-4-13-17(14-5-2,15-6-3)16-7(12)8(9,10)11/h4-6H2,1-3H3
InChIKeyFBJNIQBUUINXHG-UHFFFAOYSA-N
XLogP1.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 87594616
CID 87594616
CID 159416386
CID 159416386
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
triethoxysilyl 3,3-bis(sulfanyl)pentanoate
CID 87593886
triethoxysilyl N-propylidenecarbamate
CID 174573064
propan-2-yl 2-chloro-2,2-difluoroacetate
CID 14008863
triethoxysilyl 3-sulfanylpentanoate
CID 91476176
triethylsilyl 2,2,2-trifluoroacetate
CID 11831178
diethyl 2,2-bis[[chloro(difluoro)methyl]sulfanyl]propanedioate
CID 12639396
triethoxysilyl 4-sulfanylhexanoate
CID 91185963
triethyl (1-methoxy-2-methylprop-1-enyl) silicate
CID 21245405
ethyl 2-fluoro-2-methylpentanoate
CID 157367290

Frequently Asked Questions

What is the IUPAC name of triethoxysilyl 2-chloro-2,2-difluoroacetate?
The IUPAC name of triethoxysilyl 2-chloro-2,2-difluoroacetate (CID 23523584) is triethoxysilyl 2-chloro-2,2-difluoroacetate.
What is the SMILES notation for triethoxysilyl 2-chloro-2,2-difluoroacetate?
The canonical SMILES for triethoxysilyl 2-chloro-2,2-difluoroacetate is CCO[Si](OCC)(OCC)OC(=O)C(F)(F)Cl.
What is the InChIKey of triethoxysilyl 2-chloro-2,2-difluoroacetate?
The InChIKey is FBJNIQBUUINXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF2O5Si/c1-4-13-17(14-5-2,15-6-3)16-7(12)8(9,10)11/h4-6H2,1-3H3.
What are the key properties of triethoxysilyl 2-chloro-2,2-difluoroacetate?
triethoxysilyl 2-chloro-2,2-difluoroacetate has a molecular weight of 292.74 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilyl 2-chloro-2,2-difluoroacetate is sourced from PubChem (CID 23523584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).