(3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C8H13F3N2O2 — CID 106774171

IUPAC(3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESC[C@@H]1COCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-6-4-15-3-2-13(6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyGOHGVRAOWJIODP-ZCFIWIBFSA-N
MW226.20 g/mol
LogP0.98
Rot. Bonds1

About (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

(3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 106774171) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID106774171
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name(3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESC[C@@H]1COCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-6-4-15-3-2-13(6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyGOHGVRAOWJIODP-ZCFIWIBFSA-N
XLogP0.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 106774171) is (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is C[C@@H]1COCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is GOHGVRAOWJIODP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-6-4-15-3-2-13(6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m1/s1.
What are the key properties of (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
(3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 106774171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).