(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C11H17F3N2O3 — CID 124513990

IUPAC(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-10(17)16-3-5-19-9(6-16)8-2-1-4-18-8/h8-9H,1-7H2,(H,15,17)/t8-,9+/m0/s1
InChIKeyXZSVNDGLPYZZCD-DTWKUNHWSA-N
MW282.26 g/mol
LogP1.14
Rot. Bonds2

About (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 124513990) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID124513990
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-10(17)16-3-5-19-9(6-16)8-2-1-4-18-8/h8-9H,1-7H2,(H,15,17)/t8-,9+/m0/s1
InChIKeyXZSVNDGLPYZZCD-DTWKUNHWSA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 124513990) is (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is O=C(NCC(F)(F)F)N1CCO[C@@H]([C@@H]2CCCO2)C1.
What is the InChIKey of (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is XZSVNDGLPYZZCD-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-10(17)16-3-5-19-9(6-16)8-2-1-4-18-8/h8-9H,1-7H2,(H,15,17)/t8-,9+/m0/s1.
What are the key properties of (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 124513990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).