2,2,3,3-tetrafluorothiophene

C4H2F4S — CID 23233769

IUPAC2,2,3,3-tetrafluorothiophene
SMILESFC1(F)C=CSC1(F)F
InChIInChI=1S/C4H2F4S/c5-3(6)1-2-9-4(3,7)8/h1-2H
InChIKeyADJVSZKCHOTNAG-UHFFFAOYSA-N
MW158.12 g/mol
LogP2.47
Rot. Bonds

About 2,2,3,3-tetrafluorothiophene

2,2,3,3-tetrafluorothiophene (PubChem CID 23233769) has the molecular formula C4H2F4S and a molecular weight of 158.12 g/mol. Its IUPAC name is 2,2,3,3-tetrafluorothiophene.

Molecular Properties

Compound Name2,2,3,3-tetrafluorothiophene
PubChem CID23233769
Molecular FormulaC4H2F4S
Molecular Weight158.12 g/mol
Exact Mass157.98
IUPAC Name2,2,3,3-tetrafluorothiophene
SMILESFC1(F)C=CSC1(F)F
InChIInChI=1S/C4H2F4S/c5-3(6)1-2-9-4(3,7)8/h1-2H
InChIKeyADJVSZKCHOTNAG-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluorothiophene?
The IUPAC name of 2,2,3,3-tetrafluorothiophene (CID 23233769) is 2,2,3,3-tetrafluorothiophene.
What is the SMILES notation for 2,2,3,3-tetrafluorothiophene?
The canonical SMILES for 2,2,3,3-tetrafluorothiophene is FC1(F)C=CSC1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluorothiophene?
The InChIKey is ADJVSZKCHOTNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4S/c5-3(6)1-2-9-4(3,7)8/h1-2H.
What are the key properties of 2,2,3,3-tetrafluorothiophene?
2,2,3,3-tetrafluorothiophene has a molecular weight of 158.12 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluorothiophene is sourced from PubChem (CID 23233769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).