3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine

C11H12FNOS — CID 67043371

IUPAC3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
SMILESCSC1=NC(c2cccc(F)c2)COC1
InChIInChI=1S/C11H12FNOS/c1-15-11-7-14-6-10(13-11)8-3-2-4-9(12)5-8/h2-5,10H,6-7H2,1H3
InChIKeyJQBLJKRBUQJNTI-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.66
Rot. Bonds1

About 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine

3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine (PubChem CID 67043371) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
PubChem CID67043371
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
SMILESCSC1=NC(c2cccc(F)c2)COC1
InChIInChI=1S/C11H12FNOS/c1-15-11-7-14-6-10(13-11)8-3-2-4-9(12)5-8/h2-5,10H,6-7H2,1H3
InChIKeyJQBLJKRBUQJNTI-UHFFFAOYSA-N
XLogP2.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
The IUPAC name of 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine (CID 67043371) is 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
The canonical SMILES for 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine is CSC1=NC(c2cccc(F)c2)COC1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
The InChIKey is JQBLJKRBUQJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-15-11-7-14-6-10(13-11)8-3-2-4-9(12)5-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine has a molecular weight of 225.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 67043371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).