2-(2,2,2-trifluoroacetyl)oxyacetate

C4H2F3O4- — CID 140610089

IUPAC2-(2,2,2-trifluoroacetyl)oxyacetate
SMILESO=C([O-])COC(=O)C(F)(F)F
InChIInChI=1S/C4H3F3O4/c5-4(6,7)3(10)11-1-2(8)9/h1H2,(H,8,9)/p-1
InChIKeyMZWLBROQKLHRJK-UHFFFAOYSA-M
MW171.05 g/mol
LogP-1.16
Rot. Bonds2

About 2-(2,2,2-trifluoroacetyl)oxyacetate

2-(2,2,2-trifluoroacetyl)oxyacetate (PubChem CID 140610089) has the molecular formula C4H2F3O4- and a molecular weight of 171.05 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroacetyl)oxyacetate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroacetyl)oxyacetate
PubChem CID140610089
Molecular FormulaC4H2F3O4-
Molecular Weight171.05 g/mol
Exact Mass170.99
IUPAC Name2-(2,2,2-trifluoroacetyl)oxyacetate
SMILESO=C([O-])COC(=O)C(F)(F)F
InChIInChI=1S/C4H3F3O4/c5-4(6,7)3(10)11-1-2(8)9/h1H2,(H,8,9)/p-1
InChIKeyMZWLBROQKLHRJK-UHFFFAOYSA-M
XLogP-1.16
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.05
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

aminomethyl 2,2,2-trifluoroacetate
CID 59001854
[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 174583979
2-[dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azaniumyl]acetate
CID 140799684
2-hydroxyethyl 2,2,2-trifluoroacetate;silver
CID 174706252
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
CID 23155340
(2,2-difluoro-2-nitroethyl) 2,2,2-trifluoroacetate
CID 23263184
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
nickel;prop-2-enyl 2,2,2-trifluoroacetate
CID 88780784
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
palladium;prop-2-enyl 2,2,2-trifluoroacetate
CID 175036312
3-tribromosilylpropyl 2,2,2-trifluoroacetate
CID 87294276
2,2-bis[(2,2,2-trifluoroacetyl)oxymethyl]butyl 2,2,2-trifluoroacetate
CID 91694798

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroacetyl)oxyacetate?
The IUPAC name of 2-(2,2,2-trifluoroacetyl)oxyacetate (CID 140610089) is 2-(2,2,2-trifluoroacetyl)oxyacetate.
What is the SMILES notation for 2-(2,2,2-trifluoroacetyl)oxyacetate?
The canonical SMILES for 2-(2,2,2-trifluoroacetyl)oxyacetate is O=C([O-])COC(=O)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroacetyl)oxyacetate?
The InChIKey is MZWLBROQKLHRJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3F3O4/c5-4(6,7)3(10)11-1-2(8)9/h1H2,(H,8,9)/p-1.
What are the key properties of 2-(2,2,2-trifluoroacetyl)oxyacetate?
2-(2,2,2-trifluoroacetyl)oxyacetate has a molecular weight of 171.05 g/mol, XLogP of -1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroacetyl)oxyacetate is sourced from PubChem (CID 140610089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).