2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C9H15F3N2O3 — CID 102932397

IUPAC2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C9H15F3N2O3/c1-6-2-14(3-7(4-15)17-6)8(16)13-5-9(10,11)12/h6-7,15H,2-5H2,1H3,(H,13,16)
InChIKeyHIGBEDWJWWTKPJ-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.34
Rot. Bonds2

About 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 102932397) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID102932397
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C9H15F3N2O3/c1-6-2-14(3-7(4-15)17-6)8(16)13-5-9(10,11)12/h6-7,15H,2-5H2,1H3,(H,13,16)
InChIKeyHIGBEDWJWWTKPJ-UHFFFAOYSA-N
XLogP0.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 102932397) is 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is CC1CN(C(=O)NCC(F)(F)F)CC(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is HIGBEDWJWWTKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-6-2-14(3-7(4-15)17-6)8(16)13-5-9(10,11)12/h6-7,15H,2-5H2,1H3,(H,13,16).
What are the key properties of 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 256.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 102932397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).