2,3-dibromo-5-(3-fluorophenyl)thiophene

C10H5Br2FS — CID 135000262

IUPAC2,3-dibromo-5-(3-fluorophenyl)thiophene
SMILESFc1cccc(-c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C10H5Br2FS/c11-8-5-9(14-10(8)12)6-2-1-3-7(13)4-6/h1-5H
InChIKeyCICGEULMROPMDC-UHFFFAOYSA-N
MW336.02 g/mol
LogP5.08
Rot. Bonds1

About 2,3-dibromo-5-(3-fluorophenyl)thiophene

2,3-dibromo-5-(3-fluorophenyl)thiophene (PubChem CID 135000262) has the molecular formula C10H5Br2FS and a molecular weight of 336.02 g/mol. Its IUPAC name is 2,3-dibromo-5-(3-fluorophenyl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(3-fluorophenyl)thiophene
PubChem CID135000262
Molecular FormulaC10H5Br2FS
Molecular Weight336.02 g/mol
Exact Mass333.85
IUPAC Name2,3-dibromo-5-(3-fluorophenyl)thiophene
SMILESFc1cccc(-c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C10H5Br2FS/c11-8-5-9(14-10(8)12)6-2-1-3-7(13)4-6/h1-5H
InChIKeyCICGEULMROPMDC-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.02
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(3-fluorophenyl)thiophene?
The IUPAC name of 2,3-dibromo-5-(3-fluorophenyl)thiophene (CID 135000262) is 2,3-dibromo-5-(3-fluorophenyl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(3-fluorophenyl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(3-fluorophenyl)thiophene is Fc1cccc(-c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 2,3-dibromo-5-(3-fluorophenyl)thiophene?
The InChIKey is CICGEULMROPMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2FS/c11-8-5-9(14-10(8)12)6-2-1-3-7(13)4-6/h1-5H.
What are the key properties of 2,3-dibromo-5-(3-fluorophenyl)thiophene?
2,3-dibromo-5-(3-fluorophenyl)thiophene has a molecular weight of 336.02 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(3-fluorophenyl)thiophene is sourced from PubChem (CID 135000262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).