(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one

C17H16FNO2 — CID 10891424

IUPAC(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one
SMILESO=C1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
InChIKeyGSZAAEJBPFTBKG-INIZCTEOSA-N
MW285.32 g/mol
LogP2.93
Rot. Bonds3

About (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one

(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one (PubChem CID 10891424) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one.

Molecular Properties

Compound Name(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one
PubChem CID10891424
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one
SMILESO=C1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
InChIKeyGSZAAEJBPFTBKG-INIZCTEOSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one?
The IUPAC name of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one (CID 10891424) is (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one.
What is the SMILES notation for (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one?
The canonical SMILES for (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one is O=C1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one?
The InChIKey is GSZAAEJBPFTBKG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1.
What are the key properties of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one?
(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-one is sourced from PubChem (CID 10891424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).