(6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one

C18H18FNO2 — CID 15982167

IUPAC(6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one
SMILESC[C@H](c1ccccc1)N1C[C@H](c2ccc(F)cc2)OCC1=O
InChIInChI=1S/C18H18FNO2/c1-13(14-5-3-2-4-6-14)20-11-17(22-12-18(20)21)15-7-9-16(19)10-8-15/h2-10,13,17H,11-12H2,1H3/t13-,17-/m1/s1
InChIKeyWUNYXWNLBVYWEV-CXAGYDPISA-N
MW299.35 g/mol
LogP3.49
Rot. Bonds3

About (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one

(6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one (PubChem CID 15982167) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one
PubChem CID15982167
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one
SMILESC[C@H](c1ccccc1)N1C[C@H](c2ccc(F)cc2)OCC1=O
InChIInChI=1S/C18H18FNO2/c1-13(14-5-3-2-4-6-14)20-11-17(22-12-18(20)21)15-7-9-16(19)10-8-15/h2-10,13,17H,11-12H2,1H3/t13-,17-/m1/s1
InChIKeyWUNYXWNLBVYWEV-CXAGYDPISA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one?
The IUPAC name of (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one (CID 15982167) is (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one is C[C@H](c1ccccc1)N1C[C@H](c2ccc(F)cc2)OCC1=O.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one?
The InChIKey is WUNYXWNLBVYWEV-CXAGYDPISA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13(14-5-3-2-4-6-14)20-11-17(22-12-18(20)21)15-7-9-16(19)10-8-15/h2-10,13,17H,11-12H2,1H3/t13-,17-/m1/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one?
(6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one has a molecular weight of 299.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-3-one is sourced from PubChem (CID 15982167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).