(6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one

C17H16FNO2 — CID 15982164

IUPAC(6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one
SMILESO=C1CO[C@@H](c2ccc(F)cc2)CN1Cc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-11-19(17(20)12-21-16)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyCPUPVIAGLRJXFM-MRXNPFEDSA-N
MW285.32 g/mol
LogP2.93
Rot. Bonds3

About (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one

(6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one (PubChem CID 15982164) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one.

Molecular Properties

Compound Name(6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one
PubChem CID15982164
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one
SMILESO=C1CO[C@@H](c2ccc(F)cc2)CN1Cc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-11-19(17(20)12-21-16)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyCPUPVIAGLRJXFM-MRXNPFEDSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one?
The IUPAC name of (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one (CID 15982164) is (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one.
What is the SMILES notation for (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one?
The canonical SMILES for (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one is O=C1CO[C@@H](c2ccc(F)cc2)CN1Cc1ccccc1.
What is the InChIKey of (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one?
The InChIKey is CPUPVIAGLRJXFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-11-19(17(20)12-21-16)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1.
What are the key properties of (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one?
(6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one has a molecular weight of 285.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-benzyl-6-(4-fluorophenyl)morpholin-3-one is sourced from PubChem (CID 15982164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).