1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol

C12H10BrFOS — CID 79743338

IUPAC1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1cccs1)c1cc(Br)ccc1F
InChIInChI=1S/C12H10BrFOS/c1-12(15,11-3-2-6-16-11)9-7-8(13)4-5-10(9)14/h2-7,15H,1H3
InChIKeySIUDBYDRHGAWJZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.91
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol

1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol (PubChem CID 79743338) has the molecular formula C12H10BrFOS and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol
PubChem CID79743338
Molecular FormulaC12H10BrFOS
Molecular Weight301.18 g/mol
Exact Mass299.96
IUPAC Name1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1cccs1)c1cc(Br)ccc1F
InChIInChI=1S/C12H10BrFOS/c1-12(15,11-3-2-6-16-11)9-7-8(13)4-5-10(9)14/h2-7,15H,1H3
InChIKeySIUDBYDRHGAWJZ-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol (CID 79743338) is 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol is CC(O)(c1cccs1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol?
The InChIKey is SIUDBYDRHGAWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFOS/c1-12(15,11-3-2-6-16-11)9-7-8(13)4-5-10(9)14/h2-7,15H,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol?
1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol has a molecular weight of 301.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 79743338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).