methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

C10H16F3NO3 — CID 82837605

IUPACmethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)C1CCC(C)O1
InChIInChI=1S/C10H16F3NO3/c1-6-3-4-7(17-6)8(9(15)16-2)14-5-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyYBGWJJAKDQJITH-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 82837605) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID82837605
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)C1CCC(C)O1
InChIInChI=1S/C10H16F3NO3/c1-6-3-4-7(17-6)8(9(15)16-2)14-5-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyYBGWJJAKDQJITH-UHFFFAOYSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 82837605) is methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)C1CCC(C)O1.
What is the InChIKey of methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is YBGWJJAKDQJITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6-3-4-7(17-6)8(9(15)16-2)14-5-10(11,12)13/h6-8,14H,3-5H2,1-2H3.
What are the key properties of methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 255.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 82837605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).