1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C9H14F3NO4 — CID 103209188

IUPAC1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCOCC1CO
InChIInChI=1S/C9H14F3NO4/c10-9(11,12)6-17-5-8(15)13-1-2-16-4-7(13)3-14/h7,14H,1-6H2
InChIKeyDVWPHSLLZGJEIL-UHFFFAOYSA-N
MW257.21 g/mol
LogP-0.22
Rot. Bonds4

About 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103209188) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103209188
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCOCC1CO
InChIInChI=1S/C9H14F3NO4/c10-9(11,12)6-17-5-8(15)13-1-2-16-4-7(13)3-14/h7,14H,1-6H2
InChIKeyDVWPHSLLZGJEIL-UHFFFAOYSA-N
XLogP-0.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103209188) is 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCOCC1CO.
What is the InChIKey of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is DVWPHSLLZGJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c10-9(11,12)6-17-5-8(15)13-1-2-16-4-7(13)3-14/h7,14H,1-6H2.
What are the key properties of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 257.21 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103209188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).