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

C17H16FNO2 — CID 91429552

IUPAC4-benzyl-2-(4-fluorophenyl)morpholin-3-one
SMILESO=C1C(c2ccc(F)cc2)OCCN1Cc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)19(10-11-21-16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeySPEZZSDYIIZDGC-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.93
Rot. Bonds3

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

4-benzyl-2-(4-fluorophenyl)morpholin-3-one (PubChem CID 91429552) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluorophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(4-fluorophenyl)morpholin-3-one
PubChem CID91429552
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-benzyl-2-(4-fluorophenyl)morpholin-3-one
SMILESO=C1C(c2ccc(F)cc2)OCCN1Cc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)19(10-11-21-16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeySPEZZSDYIIZDGC-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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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluorophenyl)morpholin-3-one?
The IUPAC name of 4-benzyl-2-(4-fluorophenyl)morpholin-3-one (CID 91429552) is 4-benzyl-2-(4-fluorophenyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-2-(4-fluorophenyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-2-(4-fluorophenyl)morpholin-3-one is O=C1C(c2ccc(F)cc2)OCCN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(4-fluorophenyl)morpholin-3-one?
The InChIKey is SPEZZSDYIIZDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)19(10-11-21-16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2.
What are the key properties of 4-benzyl-2-(4-fluorophenyl)morpholin-3-one?
4-benzyl-2-(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 4-benzyl-2-(4-fluorophenyl)morpholin-3-one is sourced from PubChem (CID 91429552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).