3-[(4-fluorophenyl)sulfanylmethyl]morpholine

C11H14FNOS — CID 117034334

IUPAC3-[(4-fluorophenyl)sulfanylmethyl]morpholine
SMILESFc1ccc(SCC2COCCN2)cc1
InChIInChI=1S/C11H14FNOS/c12-9-1-3-11(4-2-9)15-8-10-7-14-6-5-13-10/h1-4,10,13H,5-8H2
InChIKeyOXFCOURQVCCNDR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.91
Rot. Bonds3

About 3-[(4-fluorophenyl)sulfanylmethyl]morpholine

3-[(4-fluorophenyl)sulfanylmethyl]morpholine (PubChem CID 117034334) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfanylmethyl]morpholine
PubChem CID117034334
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name3-[(4-fluorophenyl)sulfanylmethyl]morpholine
SMILESFc1ccc(SCC2COCCN2)cc1
InChIInChI=1S/C11H14FNOS/c12-9-1-3-11(4-2-9)15-8-10-7-14-6-5-13-10/h1-4,10,13H,5-8H2
InChIKeyOXFCOURQVCCNDR-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
(R)-4-Morpholino-1-(phenylthio)-2-butylamine
CID 25058453
4-[2-(2-Phenylsulfanylethoxy)ethyl]morpholine
CID 2993678
4-[2-(4-Fluorophenyl)sulfanylethyl]morpholine
CID 21317487
(2R)-1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069272
1-(4-Fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 77220594
N'-[(2R)-1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-yl]propane-1,3-diamine
CID 91086645
4-(2-Phenylsulfanylethyl)morpholin-4-ium
CID 3715242
2-Morpholin-4-ium-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate
CID 2469420
4-[2-(4-Fluorophenyl)sulfonylethyl]morpholin-4-ium
CID 6934253

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfanylmethyl]morpholine?
The IUPAC name of 3-[(4-fluorophenyl)sulfanylmethyl]morpholine (CID 117034334) is 3-[(4-fluorophenyl)sulfanylmethyl]morpholine.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfanylmethyl]morpholine?
The canonical SMILES for 3-[(4-fluorophenyl)sulfanylmethyl]morpholine is Fc1ccc(SCC2COCCN2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfanylmethyl]morpholine?
The InChIKey is OXFCOURQVCCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-1-3-11(4-2-9)15-8-10-7-14-6-5-13-10/h1-4,10,13H,5-8H2.
What are the key properties of 3-[(4-fluorophenyl)sulfanylmethyl]morpholine?
3-[(4-fluorophenyl)sulfanylmethyl]morpholine has a molecular weight of 227.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfanylmethyl]morpholine is sourced from PubChem (CID 117034334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).