ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate

C10H16F3NO3 — CID 54892619

IUPACethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C10H16F3NO3/c1-2-17-9(15)8(7-3-4-16-5-7)14-6-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyLIAHSAIZWLWVCX-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.11
Rot. Bonds5

About ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 54892619) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID54892619
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nameethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C10H16F3NO3/c1-2-17-9(15)8(7-3-4-16-5-7)14-6-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyLIAHSAIZWLWVCX-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 54892619) is ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)C1CCOC1.
What is the InChIKey of ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is LIAHSAIZWLWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-17-9(15)8(7-3-4-16-5-7)14-6-10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 255.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 54892619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).