1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol

C10H12BrFOS — CID 106645068

IUPAC1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)c1cccc(Br)c1F
InChIInChI=1S/C10H12BrFOS/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,13H,2,6H2,1H3
InChIKeyDWOCJJYCJWNCGF-UHFFFAOYSA-N
MW279.17 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol

1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol (PubChem CID 106645068) has the molecular formula C10H12BrFOS and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol
PubChem CID106645068
Molecular FormulaC10H12BrFOS
Molecular Weight279.17 g/mol
Exact Mass277.98
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)c1cccc(Br)c1F
InChIInChI=1S/C10H12BrFOS/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,13H,2,6H2,1H3
InChIKeyDWOCJJYCJWNCGF-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
1-(3-bromo-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 107953993
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106645644
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
1-(3-bromo-2-fluorophenyl)-3-chloropropane-1,2-diol
CID 171863326
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol (CID 106645068) is 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol is CCSCC(O)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol?
The InChIKey is DWOCJJYCJWNCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFOS/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,13H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol?
1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol has a molecular weight of 279.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol is sourced from PubChem (CID 106645068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).