1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol

C12H9BrF2OS — CID 175841437

IUPAC1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol
SMILESCC(O)c1cc(-c2cccc(F)c2F)c(Br)s1
InChIInChI=1S/C12H9BrF2OS/c1-6(16)10-5-8(12(13)17-10)7-3-2-4-9(14)11(7)15/h2-6,16H,1H3
InChIKeyVBMMBGGWNPLGGI-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.51
Rot. Bonds2

About 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol

1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol (PubChem CID 175841437) has the molecular formula C12H9BrF2OS and a molecular weight of 319.17 g/mol. Its IUPAC name is 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol
PubChem CID175841437
Molecular FormulaC12H9BrF2OS
Molecular Weight319.17 g/mol
Exact Mass317.95
IUPAC Name1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol
SMILESCC(O)c1cc(-c2cccc(F)c2F)c(Br)s1
InChIInChI=1S/C12H9BrF2OS/c1-6(16)10-5-8(12(13)17-10)7-3-2-4-9(14)11(7)15/h2-6,16H,1H3
InChIKeyVBMMBGGWNPLGGI-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
The IUPAC name of 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol (CID 175841437) is 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol.
What is the SMILES notation for 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
The canonical SMILES for 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol is CC(O)c1cc(-c2cccc(F)c2F)c(Br)s1.
What is the InChIKey of 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
The InChIKey is VBMMBGGWNPLGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2OS/c1-6(16)10-5-8(12(13)17-10)7-3-2-4-9(14)11(7)15/h2-6,16H,1H3.
What are the key properties of 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol?
1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol has a molecular weight of 319.17 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 175841437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).