2,3-difluoro-2,5-dihydrothiophene

C4H4F2S — CID 54262136

IUPAC2,3-difluoro-2,5-dihydrothiophene
SMILESFC1=CCSC1F
InChIInChI=1S/C4H4F2S/c5-3-1-2-7-4(3)6/h1,4H,2H2
InChIKeyREGDBCBNYLWYRK-UHFFFAOYSA-N
MW122.14 g/mol
LogP1.88
Rot. Bonds

About 2,3-difluoro-2,5-dihydrothiophene

2,3-difluoro-2,5-dihydrothiophene (PubChem CID 54262136) has the molecular formula C4H4F2S and a molecular weight of 122.14 g/mol. Its IUPAC name is 2,3-difluoro-2,5-dihydrothiophene.

Molecular Properties

Compound Name2,3-difluoro-2,5-dihydrothiophene
PubChem CID54262136
Molecular FormulaC4H4F2S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Name2,3-difluoro-2,5-dihydrothiophene
SMILESFC1=CCSC1F
InChIInChI=1S/C4H4F2S/c5-3-1-2-7-4(3)6/h1,4H,2H2
InChIKeyREGDBCBNYLWYRK-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2,5-dihydrothiophene?
The IUPAC name of 2,3-difluoro-2,5-dihydrothiophene (CID 54262136) is 2,3-difluoro-2,5-dihydrothiophene.
What is the SMILES notation for 2,3-difluoro-2,5-dihydrothiophene?
The canonical SMILES for 2,3-difluoro-2,5-dihydrothiophene is FC1=CCSC1F.
What is the InChIKey of 2,3-difluoro-2,5-dihydrothiophene?
The InChIKey is REGDBCBNYLWYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2S/c5-3-1-2-7-4(3)6/h1,4H,2H2.
What are the key properties of 2,3-difluoro-2,5-dihydrothiophene?
2,3-difluoro-2,5-dihydrothiophene has a molecular weight of 122.14 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2,5-dihydrothiophene is sourced from PubChem (CID 54262136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).