3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one

C19H20FNOS — CID 45228273

IUPAC3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1F)N1CCSCC1
InChIInChI=1S/C19H20FNOS/c20-18-9-5-4-8-16(18)17(15-6-2-1-3-7-15)14-19(22)21-10-12-23-13-11-21/h1-9,17H,10-14H2
InChIKeyPTVTWJMJWUHVDB-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.92
Rot. Bonds4

About 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one

3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 45228273) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
PubChem CID45228273
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1F)N1CCSCC1
InChIInChI=1S/C19H20FNOS/c20-18-9-5-4-8-16(18)17(15-6-2-1-3-7-15)14-19(22)21-10-12-23-13-11-21/h1-9,17H,10-14H2
InChIKeyPTVTWJMJWUHVDB-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one (CID 45228273) is 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1F)N1CCSCC1.
What is the InChIKey of 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is PTVTWJMJWUHVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNOS/c20-18-9-5-4-8-16(18)17(15-6-2-1-3-7-15)14-19(22)21-10-12-23-13-11-21/h1-9,17H,10-14H2.
What are the key properties of 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 329.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 45228273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).