(1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol

C12H15ClFNOS — CID 51709016

IUPAC(1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
SMILESO[C@@H](CN1CCSCC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNOS/c13-9-2-1-3-10(14)12(9)11(16)8-15-4-6-17-7-5-15/h1-3,11,16H,4-8H2/t11-/m0/s1
InChIKeyFAHQOIMZEOTUGC-NSHDSACASA-N
MW275.78 g/mol
LogP2.56
Rot. Bonds3

About (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol

(1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol (PubChem CID 51709016) has the molecular formula C12H15ClFNOS and a molecular weight of 275.78 g/mol. Its IUPAC name is (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol.

Molecular Properties

Compound Name(1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
PubChem CID51709016
Molecular FormulaC12H15ClFNOS
Molecular Weight275.78 g/mol
Exact Mass275.05
IUPAC Name(1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
SMILESO[C@@H](CN1CCSCC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNOS/c13-9-2-1-3-10(14)12(9)11(16)8-15-4-6-17-7-5-15/h1-3,11,16H,4-8H2/t11-/m0/s1
InChIKeyFAHQOIMZEOTUGC-NSHDSACASA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
CID 49762916
(1R)-1-(2-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 95576786
(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
CID 68673731
(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
CID 68673732
1-(2-Chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol
CID 48942533
(1S)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
CID 51709014
1-(2-Fluorophenyl)-2-thiomorpholin-4-ylethanol
CID 53520337
1-(3-Fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 55099211
1-(2-Fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62643538
1-(4-Fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62643539
1-(2-Chloro-6-fluorophenyl)-2-(ethylamino)ethanol
CID 62773326
1-(2-Chloro-6-fluorophenyl)-2-(propylamino)ethanol
CID 62773532

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol?
The IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol (CID 51709016) is (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol.
What is the SMILES notation for (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol?
The canonical SMILES for (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol is O[C@@H](CN1CCSCC1)c1c(F)cccc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol?
The InChIKey is FAHQOIMZEOTUGC-NSHDSACASA-N. The full InChI is InChI=1S/C12H15ClFNOS/c13-9-2-1-3-10(14)12(9)11(16)8-15-4-6-17-7-5-15/h1-3,11,16H,4-8H2/t11-/m0/s1.
What are the key properties of (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol?
(1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol has a molecular weight of 275.78 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol is sourced from PubChem (CID 51709016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).