2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol

C12H9BrF2OS — CID 155683853

IUPAC2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol
SMILESOCCc1cc(-c2cccc(F)c2F)c(Br)s1
InChIInChI=1S/C12H9BrF2OS/c13-12-9(6-7(17-12)4-5-16)8-2-1-3-10(14)11(8)15/h1-3,6,16H,4-5H2
InChIKeyGTIBWCZAYRFBIU-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.99
Rot. Bonds3

About 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol

2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol (PubChem CID 155683853) has the molecular formula C12H9BrF2OS and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol
PubChem CID155683853
Molecular FormulaC12H9BrF2OS
Molecular Weight319.17 g/mol
Exact Mass317.95
IUPAC Name2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol
SMILESOCCc1cc(-c2cccc(F)c2F)c(Br)s1
InChIInChI=1S/C12H9BrF2OS/c13-12-9(6-7(17-12)4-5-16)8-2-1-3-10(14)11(8)15/h1-3,6,16H,4-5H2
InChIKeyGTIBWCZAYRFBIU-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
The IUPAC name of 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol (CID 155683853) is 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
The canonical SMILES for 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol is OCCc1cc(-c2cccc(F)c2F)c(Br)s1.
What is the InChIKey of 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
The InChIKey is GTIBWCZAYRFBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2OS/c13-12-9(6-7(17-12)4-5-16)8-2-1-3-10(14)11(8)15/h1-3,6,16H,4-5H2.
What are the key properties of 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol has a molecular weight of 319.17 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 155683853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).