(3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one

C14H16F3NO2 — CID 71422312

IUPAC(3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one
SMILESCCC[C@]1(C(F)(F)F)N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C14H16F3NO2/c1-2-8-13(14(15,16)17)12(19)20-9-11(18-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13-/m0/s1
InChIKeyUERQLJJAXXWAGH-AAEUAGOBSA-N
MW287.28 g/mol
LogP2.98
Rot. Bonds3

About (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one

(3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one (PubChem CID 71422312) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one.

Molecular Properties

Compound Name(3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one
PubChem CID71422312
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one
SMILESCCC[C@]1(C(F)(F)F)N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C14H16F3NO2/c1-2-8-13(14(15,16)17)12(19)20-9-11(18-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13-/m0/s1
InChIKeyUERQLJJAXXWAGH-AAEUAGOBSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one?
The IUPAC name of (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one (CID 71422312) is (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one.
What is the SMILES notation for (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one?
The canonical SMILES for (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one is CCC[C@]1(C(F)(F)F)N[C@H](c2ccccc2)COC1=O.
What is the InChIKey of (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one?
The InChIKey is UERQLJJAXXWAGH-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-2-8-13(14(15,16)17)12(19)20-9-11(18-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one?
(3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one has a molecular weight of 287.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one is sourced from PubChem (CID 71422312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).