(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine

C6H10F3NO — CID 124508872

IUPAC(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine
SMILESC[C@@H]1CO[C@H](C(F)(F)F)CN1
InChIInChI=1S/C6H10F3NO/c1-4-3-11-5(2-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyLUMNOIAAEIAHKT-UHNVWZDZSA-N
MW169.15 g/mol
LogP0.93
Rot. Bonds

About (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine

(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine (PubChem CID 124508872) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine
PubChem CID124508872
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine
SMILESC[C@@H]1CO[C@H](C(F)(F)F)CN1
InChIInChI=1S/C6H10F3NO/c1-4-3-11-5(2-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyLUMNOIAAEIAHKT-UHNVWZDZSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine (CID 124508872) is (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine is C[C@@H]1CO[C@H](C(F)(F)F)CN1.
What is the InChIKey of (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine?
The InChIKey is LUMNOIAAEIAHKT-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4-3-11-5(2-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine?
(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine has a molecular weight of 169.15 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-methyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 124508872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).