2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone

C18H18FNO2 — CID 16894679

IUPAC2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-16-8-6-14(7-9-16)12-18(21)20-10-11-22-17(13-20)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyKQFWNKMEVGSDIU-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.97
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone

2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone (PubChem CID 16894679) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone
PubChem CID16894679
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-16-8-6-14(7-9-16)12-18(21)20-10-11-22-17(13-20)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyKQFWNKMEVGSDIU-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone (CID 16894679) is 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone?
The InChIKey is KQFWNKMEVGSDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-8-6-14(7-9-16)12-18(21)20-10-11-22-17(13-20)15-4-2-1-3-5-15/h1-9,17H,10-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone?
2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone has a molecular weight of 299.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 16894679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).