1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C10H17F3N2O3 — CID 81202760

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1COC(CO)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7-5-18-8(4-16)3-15(7)9(17)2-14-6-10(11,12)13/h7-8,14,16H,2-6H2,1H3
InChIKeyFAHAGQFQWPJELH-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.25
Rot. Bonds4

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 81202760) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID81202760
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1COC(CO)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7-5-18-8(4-16)3-15(7)9(17)2-14-6-10(11,12)13/h7-8,14,16H,2-6H2,1H3
InChIKeyFAHAGQFQWPJELH-UHFFFAOYSA-N
XLogP-0.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 81202760) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone is CC1COC(CO)CN1C(=O)CNCC(F)(F)F.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is FAHAGQFQWPJELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-7-5-18-8(4-16)3-15(7)9(17)2-14-6-10(11,12)13/h7-8,14,16H,2-6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 270.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 81202760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).