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

C10H17F3N2O3 — CID 114776584

IUPAC6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C10H17F3N2O3/c1-9(2)6-15(3-7(4-16)18-9)8(17)14-5-10(11,12)13/h7,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyMIFAEYXMLBPYRH-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.73
Rot. Bonds2

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

6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 114776584) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID114776584
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C10H17F3N2O3/c1-9(2)6-15(3-7(4-16)18-9)8(17)14-5-10(11,12)13/h7,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyMIFAEYXMLBPYRH-UHFFFAOYSA-N
XLogP0.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 114776584) is 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is CC1(C)CN(C(=O)NCC(F)(F)F)CC(CO)O1.
What is the InChIKey of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is MIFAEYXMLBPYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2)6-15(3-7(4-16)18-9)8(17)14-5-10(11,12)13/h7,16H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 114776584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).