ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate

C8H10F3NO4 — CID 146314109

IUPACethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate
SMILESCCOC(=O)C1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c1-2-15-6(13)5-3-12(4-5)16-7(14)8(9,10)11/h5H,2-4H2,1H3
InChIKeyUKRKYAJSIADYPT-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.50
Rot. Bonds3

About ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate

ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate (PubChem CID 146314109) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate
PubChem CID146314109
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Nameethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate
SMILESCCOC(=O)C1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c1-2-15-6(13)5-3-12(4-5)16-7(14)8(9,10)11/h5H,2-4H2,1H3
InChIKeyUKRKYAJSIADYPT-UHFFFAOYSA-N
XLogP0.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate (CID 146314109) is ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate is CCOC(=O)C1CN(OC(=O)C(F)(F)F)C1.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate?
The InChIKey is UKRKYAJSIADYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c1-2-15-6(13)5-3-12(4-5)16-7(14)8(9,10)11/h5H,2-4H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate?
ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate has a molecular weight of 241.16 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,2-trifluoroacetyl)oxyazetidine-3-carboxylate is sourced from PubChem (CID 146314109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).