(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one

C18H18FNO2 — CID 15982290

IUPAC(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
SMILESO=C1CO[C@@H](c2ccc(F)cc2)CN1CCc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-16-8-6-15(7-9-16)17-12-20(18(21)13-22-17)11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
InChIKeyCCTDHBOAGNHRSR-QGZVFWFLSA-N
MW299.35 g/mol
LogP2.97
Rot. Bonds4

About (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one

(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one (PubChem CID 15982290) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
PubChem CID15982290
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
SMILESO=C1CO[C@@H](c2ccc(F)cc2)CN1CCc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-16-8-6-15(7-9-16)17-12-20(18(21)13-22-17)11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
InChIKeyCCTDHBOAGNHRSR-QGZVFWFLSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
CID 117008961
4-benzyl-6-(3-fluorophenyl)morpholin-3-one
CID 73211209
(6R)-6-phenyl-4-(2-piperidin-4-ylethyl)morpholin-3-one
CID 90272569
(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
CID 174108729
CID 174108729
(4R)-4-(4-fluorophenyl)-6-(2-phenylethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 40813751
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 2447219
4-benzyl-7-[4-(trifluoromethoxy)phenyl]-1,4-oxazepan-3-one
CID 176712194
(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 2604219

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one?
The IUPAC name of (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one (CID 15982290) is (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one is O=C1CO[C@@H](c2ccc(F)cc2)CN1CCc1ccccc1.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one?
The InChIKey is CCTDHBOAGNHRSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-8-6-15(7-9-16)17-12-20(18(21)13-22-17)11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one?
(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one has a molecular weight of 299.35 g/mol, XLogP of 2.97, 4 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-(2-phenylethyl)morpholin-3-one is sourced from PubChem (CID 15982290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).