2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O3 — CID 79833050

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCOC(CO)C1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-13-8(16)4-14-1-2-17-7(3-14)5-15/h7,15H,1-6H2,(H,13,16)
InChIKeyXPCMURXCIOXONR-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.64
Rot. Bonds4

About 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79833050) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79833050
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCOC(CO)C1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-13-8(16)4-14-1-2-17-7(3-14)5-15/h7,15H,1-6H2,(H,13,16)
InChIKeyXPCMURXCIOXONR-UHFFFAOYSA-N
XLogP-0.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 79833050) is 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCOC(CO)C1)NCC(F)(F)F.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XPCMURXCIOXONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)6-13-8(16)4-14-1-2-17-7(3-14)5-15/h7,15H,1-6H2,(H,13,16).
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.22 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79833050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).