ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate

C7H10F3NO3 — CID 155198953

IUPACethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)NCCO1
InChIInChI=1S/C7H10F3NO3/c1-2-13-5(12)6(7(8,9)10)11-3-4-14-6/h11H,2-4H2,1H3
InChIKeyPJAKEYZLUWMGKI-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.43
Rot. Bonds2

About ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate

ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate (PubChem CID 155198953) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
PubChem CID155198953
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)NCCO1
InChIInChI=1S/C7H10F3NO3/c1-2-13-5(12)6(7(8,9)10)11-3-4-14-6/h11H,2-4H2,1H3
InChIKeyPJAKEYZLUWMGKI-UHFFFAOYSA-N
XLogP0.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate (CID 155198953) is ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate is CCOC(=O)C1(C(F)(F)F)NCCO1.
What is the InChIKey of ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
The InChIKey is PJAKEYZLUWMGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-2-13-5(12)6(7(8,9)10)11-3-4-14-6/h11H,2-4H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate has a molecular weight of 213.15 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 155198953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).