4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one

C20H28FNO3 — CID 157126602

IUPAC4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
SMILESCC(C)c1ccc(CC(=O)CC2C(=O)OC(C)(C)CN2CCF)cc1
InChIInChI=1S/C20H28FNO3/c1-14(2)16-7-5-15(6-8-16)11-17(23)12-18-19(24)25-20(3,4)13-22(18)10-9-21/h5-8,14,18H,9-13H2,1-4H3
InChIKeyAIOPTYOBKGXOBA-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.29
Rot. Bonds7

About 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one

4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one (PubChem CID 157126602) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
PubChem CID157126602
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC Name4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
SMILESCC(C)c1ccc(CC(=O)CC2C(=O)OC(C)(C)CN2CCF)cc1
InChIInChI=1S/C20H28FNO3/c1-14(2)16-7-5-15(6-8-16)11-17(23)12-18-19(24)25-20(3,4)13-22(18)10-9-21/h5-8,14,18H,9-13H2,1-4H3
InChIKeyAIOPTYOBKGXOBA-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one with MolForge

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Related Compounds

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Methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate
CID 54404104
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2-piperidin-1-ylethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
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CID 134591597

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
The IUPAC name of 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one (CID 157126602) is 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one.
What is the SMILES notation for 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
The canonical SMILES for 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one is CC(C)c1ccc(CC(=O)CC2C(=O)OC(C)(C)CN2CCF)cc1.
What is the InChIKey of 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
The InChIKey is AIOPTYOBKGXOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO3/c1-14(2)16-7-5-15(6-8-16)11-17(23)12-18-19(24)25-20(3,4)13-22(18)10-9-21/h5-8,14,18H,9-13H2,1-4H3.
What are the key properties of 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one has a molecular weight of 349.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one is sourced from PubChem (CID 157126602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).