(5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one

C18H16F3NO2 — CID 135030172

IUPAC(5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
SMILESO=C1CN(Cc2ccccc2)[C@H](C(F)(F)F)[C@@H](c2ccccc2)O1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)17-16(14-9-5-2-6-10-14)24-15(23)12-22(17)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2/t16-,17+/m1/s1
InChIKeySJEFUWVTPOVKHS-SJORKVTESA-N
MW335.32 g/mol
LogP3.72
Rot. Bonds3

About (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one

(5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one (PubChem CID 135030172) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one.

Molecular Properties

Compound Name(5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
PubChem CID135030172
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name(5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
SMILESO=C1CN(Cc2ccccc2)[C@H](C(F)(F)F)[C@@H](c2ccccc2)O1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)17-16(14-9-5-2-6-10-14)24-15(23)12-22(17)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2/t16-,17+/m1/s1
InChIKeySJEFUWVTPOVKHS-SJORKVTESA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
The IUPAC name of (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one (CID 135030172) is (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one.
What is the SMILES notation for (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
The canonical SMILES for (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one is O=C1CN(Cc2ccccc2)[C@H](C(F)(F)F)[C@@H](c2ccccc2)O1.
What is the InChIKey of (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
The InChIKey is SJEFUWVTPOVKHS-SJORKVTESA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)17-16(14-9-5-2-6-10-14)24-15(23)12-22(17)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2/t16-,17+/m1/s1.
What are the key properties of (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
(5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one has a molecular weight of 335.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one is sourced from PubChem (CID 135030172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).