(2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine

C7H12F3NO — CID 95970446

IUPAC(2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine
SMILESCC[C@@H]1CNC[C@H](C(F)(F)F)O1
InChIInChI=1S/C7H12F3NO/c1-2-5-3-11-4-6(12-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyMDDPCMWDWYXMHH-PHDIDXHHSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds1

About (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine

(2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine (PubChem CID 95970446) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine
PubChem CID95970446
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine
SMILESCC[C@@H]1CNC[C@H](C(F)(F)F)O1
InChIInChI=1S/C7H12F3NO/c1-2-5-3-11-4-6(12-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyMDDPCMWDWYXMHH-PHDIDXHHSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine?
The IUPAC name of (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine (CID 95970446) is (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine?
The canonical SMILES for (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine is CC[C@@H]1CNC[C@H](C(F)(F)F)O1.
What is the InChIKey of (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine?
The InChIKey is MDDPCMWDWYXMHH-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-5-3-11-4-6(12-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine?
(2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-ethyl-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 95970446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).