2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene

C10H6BrFS — CID 134862931

IUPAC2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene
SMILESF/C(=C\Br)c1cc2ccccc2s1
InChIInChI=1S/C10H6BrFS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-6H/b8-6-
InChIKeyMXPKNKJPISXWRG-VURMDHGXSA-N
MW257.13 g/mol
LogP4.56
Rot. Bonds1

About 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene

2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene (PubChem CID 134862931) has the molecular formula C10H6BrFS and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene
PubChem CID134862931
Molecular FormulaC10H6BrFS
Molecular Weight257.13 g/mol
Exact Mass255.94
IUPAC Name2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene
SMILESF/C(=C\Br)c1cc2ccccc2s1
InChIInChI=1S/C10H6BrFS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-6H/b8-6-
InChIKeyMXPKNKJPISXWRG-VURMDHGXSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene?
The IUPAC name of 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene (CID 134862931) is 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene.
What is the SMILES notation for 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene?
The canonical SMILES for 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene is F/C(=C\Br)c1cc2ccccc2s1.
What is the InChIKey of 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene?
The InChIKey is MXPKNKJPISXWRG-VURMDHGXSA-N. The full InChI is InChI=1S/C10H6BrFS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-6H/b8-6-.
What are the key properties of 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene?
2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene has a molecular weight of 257.13 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromo-1-fluoroethenyl]-1-benzothiophene is sourced from PubChem (CID 134862931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).