3-[(3-fluorophenoxy)methyl]thiomorpholine

C11H14FNOS — CID 82287984

IUPAC3-[(3-fluorophenoxy)methyl]thiomorpholine
SMILESFc1cccc(OCC2CSCCN2)c1
InChIInChI=1S/C11H14FNOS/c12-9-2-1-3-11(6-9)14-7-10-8-15-5-4-13-10/h1-3,6,10,13H,4-5,7-8H2
InChIKeyMEUKBWPPMIZSKZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.91
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]thiomorpholine

3-[(3-fluorophenoxy)methyl]thiomorpholine (PubChem CID 82287984) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]thiomorpholine
PubChem CID82287984
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name3-[(3-fluorophenoxy)methyl]thiomorpholine
SMILESFc1cccc(OCC2CSCCN2)c1
InChIInChI=1S/C11H14FNOS/c12-9-2-1-3-11(6-9)14-7-10-8-15-5-4-13-10/h1-3,6,10,13H,4-5,7-8H2
InChIKeyMEUKBWPPMIZSKZ-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

3-[(3-methylphenoxy)methyl]thiomorpholine
CID 82287244
3-[(3-tert-butylphenoxy)methyl]thiomorpholine
CID 82304208
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium
CID 7100658
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936406
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine
CID 82292471
3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
CID 121208144
N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939693
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]thiomorpholine?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]thiomorpholine (CID 82287984) is 3-[(3-fluorophenoxy)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]thiomorpholine is Fc1cccc(OCC2CSCCN2)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]thiomorpholine?
The InChIKey is MEUKBWPPMIZSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-2-1-3-11(6-9)14-7-10-8-15-5-4-13-10/h1-3,6,10,13H,4-5,7-8H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]thiomorpholine?
3-[(3-fluorophenoxy)methyl]thiomorpholine 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-[(3-fluorophenoxy)methyl]thiomorpholine is sourced from PubChem (CID 82287984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).