2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene

C13H11BrF2OS — CID 155683912

IUPAC2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene
SMILESCOCCc1cc(-c2cccc(F)c2F)c(Br)s1
InChIInChI=1S/C13H11BrF2OS/c1-17-6-5-8-7-10(13(14)18-8)9-3-2-4-11(15)12(9)16/h2-4,7H,5-6H2,1H3
InChIKeyCLNBYDWXFJHIKM-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.64
Rot. Bonds4

About 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene

2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene (PubChem CID 155683912) has the molecular formula C13H11BrF2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene.

Molecular Properties

Compound Name2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene
PubChem CID155683912
Molecular FormulaC13H11BrF2OS
Molecular Weight333.20 g/mol
Exact Mass331.97
IUPAC Name2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene
SMILESCOCCc1cc(-c2cccc(F)c2F)c(Br)s1
InChIInChI=1S/C13H11BrF2OS/c1-17-6-5-8-7-10(13(14)18-8)9-3-2-4-11(15)12(9)16/h2-4,7H,5-6H2,1H3
InChIKeyCLNBYDWXFJHIKM-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene?
The IUPAC name of 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene (CID 155683912) is 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene.
What is the SMILES notation for 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene?
The canonical SMILES for 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene is COCCc1cc(-c2cccc(F)c2F)c(Br)s1.
What is the InChIKey of 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene?
The InChIKey is CLNBYDWXFJHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2OS/c1-17-6-5-8-7-10(13(14)18-8)9-3-2-4-11(15)12(9)16/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene?
2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene has a molecular weight of 333.20 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2,3-difluorophenyl)-5-(2-methoxyethyl)thiophene is sourced from PubChem (CID 155683912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).