4-[2-(4-fluorophenyl)sulfanylethyl]morpholine

C12H16FNOS — CID 21317487

IUPAC4-[2-(4-fluorophenyl)sulfanylethyl]morpholine
SMILESFc1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C12H16FNOS/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10H2
InChIKeyTUNRQVOFONMZRM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.25
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine

4-[2-(4-fluorophenyl)sulfanylethyl]morpholine (PubChem CID 21317487) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanylethyl]morpholine
PubChem CID21317487
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name4-[2-(4-fluorophenyl)sulfanylethyl]morpholine
SMILESFc1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C12H16FNOS/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10H2
InChIKeyTUNRQVOFONMZRM-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine (CID 21317487) is 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine is Fc1ccc(SCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine?
The InChIKey is TUNRQVOFONMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10H2.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine?
4-[2-(4-fluorophenyl)sulfanylethyl]morpholine has a molecular weight of 241.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfanylethyl]morpholine is sourced from PubChem (CID 21317487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).