5-bromo-2,3-difluorothiophene

C4HBrF2S — CID 23261684

IUPAC5-bromo-2,3-difluorothiophene
SMILESFc1cc(Br)sc1F
InChIInChI=1S/C4HBrF2S/c5-3-1-2(6)4(7)8-3/h1H
InChIKeyGNHHLTIWDDCOOF-UHFFFAOYSA-N
MW199.02 g/mol
LogP2.79
Rot. Bonds

About 5-bromo-2,3-difluorothiophene

5-bromo-2,3-difluorothiophene (PubChem CID 23261684) has the molecular formula C4HBrF2S and a molecular weight of 199.02 g/mol. Its IUPAC name is 5-bromo-2,3-difluorothiophene.

Molecular Properties

Compound Name5-bromo-2,3-difluorothiophene
PubChem CID23261684
Molecular FormulaC4HBrF2S
Molecular Weight199.02 g/mol
Exact Mass197.90
IUPAC Name5-bromo-2,3-difluorothiophene
SMILESFc1cc(Br)sc1F
InChIInChI=1S/C4HBrF2S/c5-3-1-2(6)4(7)8-3/h1H
InChIKeyGNHHLTIWDDCOOF-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-difluorothiophene?
The IUPAC name of 5-bromo-2,3-difluorothiophene (CID 23261684) is 5-bromo-2,3-difluorothiophene.
What is the SMILES notation for 5-bromo-2,3-difluorothiophene?
The canonical SMILES for 5-bromo-2,3-difluorothiophene is Fc1cc(Br)sc1F.
What is the InChIKey of 5-bromo-2,3-difluorothiophene?
The InChIKey is GNHHLTIWDDCOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF2S/c5-3-1-2(6)4(7)8-3/h1H.
What are the key properties of 5-bromo-2,3-difluorothiophene?
5-bromo-2,3-difluorothiophene has a molecular weight of 199.02 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-difluorothiophene is sourced from PubChem (CID 23261684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).