1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol

C13H12BrFOS — CID 79742355

IUPAC1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1cc(Br)ccc1F
InChIInChI=1S/C13H12BrFOS/c1-8-5-6-17-12(8)13(2,16)10-7-9(14)3-4-11(10)15/h3-7,16H,1-2H3
InChIKeyFWCQLFRPIYBGNA-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.21
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol

1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 79742355) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID79742355
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1cc(Br)ccc1F
InChIInChI=1S/C13H12BrFOS/c1-8-5-6-17-12(8)13(2,16)10-7-9(14)3-4-11(10)15/h3-7,16H,1-2H3
InChIKeyFWCQLFRPIYBGNA-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.21
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-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol (CID 79742355) is 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(C)(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is FWCQLFRPIYBGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-8-5-6-17-12(8)13(2,16)10-7-9(14)3-4-11(10)15/h3-7,16H,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol?
1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 315.21 g/mol, XLogP of 4.21, 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-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 79742355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).