6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one

C19H22FNO4 — CID 26321313

IUPAC6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C19H22FNO4/c1-19(2)11-15(22)10-17(25-19)18(23)21-6-7-24-16(12-21)9-13-4-3-5-14(20)8-13/h3-5,8,10,16H,6-7,9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyQFVNOIROYFKEDR-INIZCTEOSA-N
MW347.39 g/mol
LogP2.25
Rot. Bonds3

About 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one

6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one (PubChem CID 26321313) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one.

Molecular Properties

Compound Name6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
PubChem CID26321313
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C19H22FNO4/c1-19(2)11-15(22)10-17(25-19)18(23)21-6-7-24-16(12-21)9-13-4-3-5-14(20)8-13/h3-5,8,10,16H,6-7,9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyQFVNOIROYFKEDR-INIZCTEOSA-N
XLogP2.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The IUPAC name of 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one (CID 26321313) is 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one.
What is the SMILES notation for 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The canonical SMILES for 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one is CC1(C)CC(=O)C=C(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)O1.
What is the InChIKey of 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The InChIKey is QFVNOIROYFKEDR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-19(2)11-15(22)10-17(25-19)18(23)21-6-7-24-16(12-21)9-13-4-3-5-14(20)8-13/h3-5,8,10,16H,6-7,9,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one has a molecular weight of 347.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one is sourced from PubChem (CID 26321313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).