1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol

C13H18FNO2S — CID 54355213

IUPAC1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESOC(CSc1ccccc1F)CN1CCOCC1
InChIInChI=1S/C13H18FNO2S/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2
InChIKeyUIQHSYXCNFUZPN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.61
Rot. Bonds5

About 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol

1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 54355213) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
PubChem CID54355213
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESOC(CSc1ccccc1F)CN1CCOCC1
InChIInChI=1S/C13H18FNO2S/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2
InChIKeyUIQHSYXCNFUZPN-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

4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride
CID 6603494
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
2,6-Dimethyl-4-{2-[2-(phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2992886
1-(2,6-Dimethylmorpholin-4-yl)-2-phenylsulfanylethanone
CID 4387420
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol
CID 588768
Sulfone, 4-fluorophenyl 2-morpholinoethyl, hydrochloride
CID 214241

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol (CID 54355213) is 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol is OC(CSc1ccccc1F)CN1CCOCC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is UIQHSYXCNFUZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol?
1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol 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 1-(2-fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 54355213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).