2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate

C9H12F3NO5 — CID 78927150

IUPAC2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO5/c1-16-7(14)6-4-13(2-3-17-6)8(15)18-5-9(10,11)12/h6H,2-5H2,1H3
InChIKeySKKYYEOQSAKZKN-UHFFFAOYSA-N
MW271.19 g/mol
LogP0.56
Rot. Bonds2

About 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate

2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate (PubChem CID 78927150) has the molecular formula C9H12F3NO5 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate
PubChem CID78927150
Molecular FormulaC9H12F3NO5
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC Name2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO5/c1-16-7(14)6-4-13(2-3-17-6)8(15)18-5-9(10,11)12/h6H,2-5H2,1H3
InChIKeySKKYYEOQSAKZKN-UHFFFAOYSA-N
XLogP0.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
3-O-methyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,3-dicarboxylate
CID 78924639
2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
CID 65173275
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240

Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate?
The IUPAC name of 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate (CID 78927150) is 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate.
What is the SMILES notation for 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate?
The canonical SMILES for 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate is COC(=O)C1CN(C(=O)OCC(F)(F)F)CCO1.
What is the InChIKey of 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate?
The InChIKey is SKKYYEOQSAKZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO5/c1-16-7(14)6-4-13(2-3-17-6)8(15)18-5-9(10,11)12/h6H,2-5H2,1H3.
What are the key properties of 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate?
2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate has a molecular weight of 271.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate is sourced from PubChem (CID 78927150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).