1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol

C14H11BrF2OS — CID 82973110

IUPAC1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Sc1cc(F)ccc1F
InChIInChI=1S/C14H11BrF2OS/c1-8(18)11-6-9(15)2-5-13(11)19-14-7-10(16)3-4-12(14)17/h2-8,18H,1H3
InChIKeyCWRDMTHPICVIEE-UHFFFAOYSA-N
MW345.21 g/mol
LogP4.93
Rot. Bonds3

About 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol

1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol (PubChem CID 82973110) has the molecular formula C14H11BrF2OS and a molecular weight of 345.21 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
PubChem CID82973110
Molecular FormulaC14H11BrF2OS
Molecular Weight345.21 g/mol
Exact Mass343.97
IUPAC Name1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Sc1cc(F)ccc1F
InChIInChI=1S/C14H11BrF2OS/c1-8(18)11-6-9(15)2-5-13(11)19-14-7-10(16)3-4-12(14)17/h2-8,18H,1H3
InChIKeyCWRDMTHPICVIEE-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43519080
1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 107783479
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-[5-bromo-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82973884
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 114001142
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol (CID 82973110) is 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol is CC(O)c1cc(Br)ccc1Sc1cc(F)ccc1F.
What is the InChIKey of 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol?
The InChIKey is CWRDMTHPICVIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2OS/c1-8(18)11-6-9(15)2-5-13(11)19-14-7-10(16)3-4-12(14)17/h2-8,18H,1H3.
What are the key properties of 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol?
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol has a molecular weight of 345.21 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 82973110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).