1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol

C11H11FN2OS — CID 107783372

IUPAC1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1Sc1ncc[nH]1
InChIInChI=1S/C11H11FN2OS/c1-7(15)10-8(12)3-2-4-9(10)16-11-13-5-6-14-11/h2-7,15H,1H3,(H,13,14)
InChIKeyIDJIPPFDGVIXOO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.75
Rot. Bonds3

About 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol

1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol (PubChem CID 107783372) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
PubChem CID107783372
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1Sc1ncc[nH]1
InChIInChI=1S/C11H11FN2OS/c1-7(15)10-8(12)3-2-4-9(10)16-11-13-5-6-14-11/h2-7,15H,1H3,(H,13,14)
InChIKeyIDJIPPFDGVIXOO-UHFFFAOYSA-N
XLogP2.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 55239486
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783375
1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 63835947
2-(2-methylphenyl)sulfanyl-1H-imidazole
CID 67575257
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951779
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)-4-methylphenyl]ethanamine
CID 114000787
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 107780639

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol (CID 107783372) is 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol is CC(O)c1c(F)cccc1Sc1ncc[nH]1.
What is the InChIKey of 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is IDJIPPFDGVIXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-7(15)10-8(12)3-2-4-9(10)16-11-13-5-6-14-11/h2-7,15H,1H3,(H,13,14).
What are the key properties of 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol?
1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 238.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 107783372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).