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

C17H16FNO2 — CID 73211209

IUPAC4-benzyl-6-(3-fluorophenyl)morpholin-3-one
SMILESO=C1COC(c2cccc(F)c2)CN1Cc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-4-7-14(9-15)16-11-19(17(20)12-21-16)10-13-5-2-1-3-6-13/h1-9,16H,10-12H2
InChIKeySUIJLLBWCYKDNG-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.93
Rot. Bonds3

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

4-benzyl-6-(3-fluorophenyl)morpholin-3-one (PubChem CID 73211209) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-benzyl-6-(3-fluorophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-6-(3-fluorophenyl)morpholin-3-one
PubChem CID73211209
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-benzyl-6-(3-fluorophenyl)morpholin-3-one
SMILESO=C1COC(c2cccc(F)c2)CN1Cc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-4-7-14(9-15)16-11-19(17(20)12-21-16)10-13-5-2-1-3-6-13/h1-9,16H,10-12H2
InChIKeySUIJLLBWCYKDNG-UHFFFAOYSA-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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Related Compounds

(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
CID 72725322
2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
CID 115060361
(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
CID 15982290
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
4-benzyl-6-piperidin-4-ylmorpholin-3-one
CID 115067805
4-benzyl-7-[4-(trifluoromethoxy)phenyl]-1,4-oxazepan-3-one
CID 176712194
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3R,3aS,8aR)-1-benzyl-3-(3-fluorophenyl)-3,3a,5,6,8,8a-hexahydro-2H-oxepino[3,4-b]pyrrol-4-one
CID 97312314
(6R)-N-[(3-fluorophenyl)methyl]-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126077

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(3-fluorophenyl)morpholin-3-one?
The IUPAC name of 4-benzyl-6-(3-fluorophenyl)morpholin-3-one (CID 73211209) is 4-benzyl-6-(3-fluorophenyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-6-(3-fluorophenyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-6-(3-fluorophenyl)morpholin-3-one is O=C1COC(c2cccc(F)c2)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-6-(3-fluorophenyl)morpholin-3-one?
The InChIKey is SUIJLLBWCYKDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-4-7-14(9-15)16-11-19(17(20)12-21-16)10-13-5-2-1-3-6-13/h1-9,16H,10-12H2.
What are the key properties of 4-benzyl-6-(3-fluorophenyl)morpholin-3-one?
4-benzyl-6-(3-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 4-benzyl-6-(3-fluorophenyl)morpholin-3-one is sourced from PubChem (CID 73211209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).