(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol

C10H13FO2S — CID 63836108

IUPAC(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1SCCO
InChIInChI=1S/C10H13FO2S/c1-7(13)10-8(11)3-2-4-9(10)14-6-5-12/h2-4,7,12-13H,5-6H2,1H3/t7-/m1/s1
InChIKeyLPWLAYGKQYWQTI-SSDOTTSWSA-N
MW216.28 g/mol
LogP1.96
Rot. Bonds4

About (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol

(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol (PubChem CID 63836108) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
PubChem CID63836108
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1SCCO
InChIInChI=1S/C10H13FO2S/c1-7(13)10-8(11)3-2-4-9(10)14-6-5-12/h2-4,7,12-13H,5-6H2,1H3/t7-/m1/s1
InChIKeyLPWLAYGKQYWQTI-SSDOTTSWSA-N
XLogP1.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855818
3-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]sulfanylpropan-1-ol
CID 66114322
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
CID 43189262
1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814189
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 55239486
1-(2-fluoro-6-pentylsulfanylphenyl)ethanamine
CID 107750658

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol (CID 63836108) is (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol is C[C@@H](O)c1c(F)cccc1SCCO.
What is the InChIKey of (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol?
The InChIKey is LPWLAYGKQYWQTI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-7(13)10-8(11)3-2-4-9(10)14-6-5-12/h2-4,7,12-13H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol?
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63836108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).