dimethylsilyl 2,2,2-trifluoroacetate

C4H7F3O2Si — CID 123653640

IUPACdimethylsilyl 2,2,2-trifluoroacetate
SMILESC[SiH](C)OC(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O2Si/c1-10(2)9-3(8)4(5,6)7/h10H,1-2H3
InChIKeyFOTBOKBDKNTVLX-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.08
Rot. Bonds1

About dimethylsilyl 2,2,2-trifluoroacetate

dimethylsilyl 2,2,2-trifluoroacetate (PubChem CID 123653640) has the molecular formula C4H7F3O2Si and a molecular weight of 172.18 g/mol. Its IUPAC name is dimethylsilyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedimethylsilyl 2,2,2-trifluoroacetate
PubChem CID123653640
Molecular FormulaC4H7F3O2Si
Molecular Weight172.18 g/mol
Exact Mass172.02
IUPAC Namedimethylsilyl 2,2,2-trifluoroacetate
SMILESC[SiH](C)OC(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O2Si/c1-10(2)9-3(8)4(5,6)7/h10H,1-2H3
InChIKeyFOTBOKBDKNTVLX-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethylsilyl 2,2,2-trichloroacetate
CID 15643441
acetyl 2,2,2-trifluoroacetate;copper
CID 174842973
phosphanyl 2,2,2-trifluoroacetate
CID 88670110
tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium
CID 57090971
dimethylphosphoryl 2,2,2-trifluoroacetate
CID 154646257
acetic acid;acetyl 2,2,2-trifluoroacetate
CID 175408776
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
bis[(2,2,2-trifluoroacetyl)oxy]stibanyl 2,2,2-trifluoroacetate
CID 16685221
(2,2,2-trifluoroacetyl) 2-hydroxypropanoate
CID 174789042
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
oxothallanyl 2,2,2-trifluoroacetate
CID 141105669
dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 23148895

Frequently Asked Questions

What is the IUPAC name of dimethylsilyl 2,2,2-trifluoroacetate?
The IUPAC name of dimethylsilyl 2,2,2-trifluoroacetate (CID 123653640) is dimethylsilyl 2,2,2-trifluoroacetate.
What is the SMILES notation for dimethylsilyl 2,2,2-trifluoroacetate?
The canonical SMILES for dimethylsilyl 2,2,2-trifluoroacetate is C[SiH](C)OC(=O)C(F)(F)F.
What is the InChIKey of dimethylsilyl 2,2,2-trifluoroacetate?
The InChIKey is FOTBOKBDKNTVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2Si/c1-10(2)9-3(8)4(5,6)7/h10H,1-2H3.
What are the key properties of dimethylsilyl 2,2,2-trifluoroacetate?
dimethylsilyl 2,2,2-trifluoroacetate has a molecular weight of 172.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 123653640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).