[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol

C13H18FNO2S — CID 79841047

IUPAC[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol
SMILESOCC1CN(CCSc2ccc(F)cc2)CCO1
InChIInChI=1S/C13H18FNO2S/c14-11-1-3-13(4-2-11)18-8-6-15-5-7-17-12(9-15)10-16/h1-4,12,16H,5-10H2
InChIKeyFUVBYFRVLALMAA-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.61
Rot. Bonds5

About [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol

[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol (PubChem CID 79841047) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol
PubChem CID79841047
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol
SMILESOCC1CN(CCSc2ccc(F)cc2)CCO1
InChIInChI=1S/C13H18FNO2S/c14-11-1-3-13(4-2-11)18-8-6-15-5-7-17-12(9-15)10-16/h1-4,12,16H,5-10H2
InChIKeyFUVBYFRVLALMAA-UHFFFAOYSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
CID 62545645
[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]methanol
CID 81219382
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
1-[2-(4-fluorophenyl)sulfanylethyl]-4-methylpiperidin-4-ol
CID 80707257
5-fluoro-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzenecarbothioamide
CID 81203589
[4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholin-2-yl]methanol
CID 81202906
1-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111311534
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol (CID 79841047) is [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol is OCC1CN(CCSc2ccc(F)cc2)CCO1.
What is the InChIKey of [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol?
The InChIKey is FUVBYFRVLALMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c14-11-1-3-13(4-2-11)18-8-6-15-5-7-17-12(9-15)10-16/h1-4,12,16H,5-10H2.
What are the key properties of [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol?
[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol is sourced from PubChem (CID 79841047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).