(3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one

C14H16F3NO2 — CID 134858611

IUPAC(3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one
SMILESC[C@H](C[C@H]1N[C@@H](c2ccccc2)COC1=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-9(14(15,16)17)7-11-13(19)20-8-12(18-11)10-5-3-2-4-6-10/h2-6,9,11-12,18H,7-8H2,1H3/t9-,11-,12-/m1/s1
InChIKeyGCGQMWRJMFAZGJ-YUSALJHKSA-N
MW287.28 g/mol
LogP2.83
Rot. Bonds3

About (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one

(3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one (PubChem CID 134858611) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one
PubChem CID134858611
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one
SMILESC[C@H](C[C@H]1N[C@@H](c2ccccc2)COC1=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-9(14(15,16)17)7-11-13(19)20-8-12(18-11)10-5-3-2-4-6-10/h2-6,9,11-12,18H,7-8H2,1H3/t9-,11-,12-/m1/s1
InChIKeyGCGQMWRJMFAZGJ-YUSALJHKSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one?
The IUPAC name of (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one (CID 134858611) is (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one.
What is the SMILES notation for (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one?
The canonical SMILES for (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one is C[C@H](C[C@H]1N[C@@H](c2ccccc2)COC1=O)C(F)(F)F.
What is the InChIKey of (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one?
The InChIKey is GCGQMWRJMFAZGJ-YUSALJHKSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9(14(15,16)17)7-11-13(19)20-8-12(18-11)10-5-3-2-4-6-10/h2-6,9,11-12,18H,7-8H2,1H3/t9-,11-,12-/m1/s1.
What are the key properties of (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one?
(3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one has a molecular weight of 287.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one is sourced from PubChem (CID 134858611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).