1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol

C12H10BrFO2S — CID 66070412

IUPAC1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol
SMILESOC(CSc1cccc(F)c1)c1occc1Br
InChIInChI=1S/C12H10BrFO2S/c13-10-4-5-16-12(10)11(15)7-17-9-3-1-2-8(14)6-9/h1-6,11,15H,7H2
InChIKeyZNRWEUHOCSHXBK-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.01
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol

1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol (PubChem CID 66070412) has the molecular formula C12H10BrFO2S and a molecular weight of 317.18 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol
PubChem CID66070412
Molecular FormulaC12H10BrFO2S
Molecular Weight317.18 g/mol
Exact Mass315.96
IUPAC Name1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol
SMILESOC(CSc1cccc(F)c1)c1occc1Br
InChIInChI=1S/C12H10BrFO2S/c13-10-4-5-16-12(10)11(15)7-17-9-3-1-2-8(14)6-9/h1-6,11,15H,7H2
InChIKeyZNRWEUHOCSHXBK-UHFFFAOYSA-N
XLogP4.01
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43132139
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CID 43244557
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol (CID 66070412) is 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol is OC(CSc1cccc(F)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol?
The InChIKey is ZNRWEUHOCSHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2S/c13-10-4-5-16-12(10)11(15)7-17-9-3-1-2-8(14)6-9/h1-6,11,15H,7H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol?
1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol has a molecular weight of 317.18 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 66070412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).