2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid

C8H10F3NO4 — CID 130605059

IUPAC2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid
SMILESCC1OCCN(C(=O)C(F)(F)F)C1C(=O)O
InChIInChI=1S/C8H10F3NO4/c1-4-5(6(13)14)12(2-3-16-4)7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyDHJOHSCBXHEDOD-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.25
Rot. Bonds1

About 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid

2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid (PubChem CID 130605059) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid
PubChem CID130605059
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid
SMILESCC1OCCN(C(=O)C(F)(F)F)C1C(=O)O
InChIInChI=1S/C8H10F3NO4/c1-4-5(6(13)14)12(2-3-16-4)7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyDHJOHSCBXHEDOD-UHFFFAOYSA-N
XLogP0.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid (CID 130605059) is 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid is CC1OCCN(C(=O)C(F)(F)F)C1C(=O)O.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid?
The InChIKey is DHJOHSCBXHEDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c1-4-5(6(13)14)12(2-3-16-4)7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid?
2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroacetyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 130605059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).