(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol

C12H16FNOS — CID 78939436

IUPAC(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCSCC1
InChIInChI=1S/C12H16FNOS/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4,9,15H,5-8H2,1H3/t9-/m0/s1
InChIKeyAMKBJYHPIWMYJU-VIFPVBQESA-N
MW241.33 g/mol
LogP2.43
Rot. Bonds2

About (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol

(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol (PubChem CID 78939436) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
PubChem CID78939436
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCSCC1
InChIInChI=1S/C12H16FNOS/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4,9,15H,5-8H2,1H3/t9-/m0/s1
InChIKeyAMKBJYHPIWMYJU-VIFPVBQESA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(1S)-1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 78935058
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
CID 63371860
(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 78941188
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168
(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 78940212
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol?
The IUPAC name of (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol (CID 78939436) is (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol?
The canonical SMILES for (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol is C[C@H](O)c1c(F)cccc1N1CCSCC1.
What is the InChIKey of (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol?
The InChIKey is AMKBJYHPIWMYJU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4,9,15H,5-8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol?
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol has a molecular weight of 241.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol is sourced from PubChem (CID 78939436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).