2,2,5,5-tetrafluorothiophene

C4H2F4S — CID 12916665

IUPAC2,2,5,5-tetrafluorothiophene
SMILESFC1(F)C=CC(F)(F)S1
InChIInChI=1S/C4H2F4S/c5-3(6)1-2-4(7,8)9-3/h1-2H
InChIKeyZFVQNGGXJPPIHT-UHFFFAOYSA-N
MW158.12 g/mol
LogP2.47
Rot. Bonds

About 2,2,5,5-tetrafluorothiophene

2,2,5,5-tetrafluorothiophene (PubChem CID 12916665) has the molecular formula C4H2F4S and a molecular weight of 158.12 g/mol. Its IUPAC name is 2,2,5,5-tetrafluorothiophene.

Molecular Properties

Compound Name2,2,5,5-tetrafluorothiophene
PubChem CID12916665
Molecular FormulaC4H2F4S
Molecular Weight158.12 g/mol
Exact Mass157.98
IUPAC Name2,2,5,5-tetrafluorothiophene
SMILESFC1(F)C=CC(F)(F)S1
InChIInChI=1S/C4H2F4S/c5-3(6)1-2-4(7,8)9-3/h1-2H
InChIKeyZFVQNGGXJPPIHT-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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2,5,5-tetrafluorothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,5,5-pentafluorothiophene
CID 12916666
3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 13054
2,2,3,3,4,4-hexafluorothietane
CID 567761
2,2,3,3,4,4,5,5-octafluorothiolane
CID 12705729
5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 12676459
3,3-difluorocyclobutene
CID 139242801
3-chloro-3,4,4-trifluorocyclobutene
CID 19387489
4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
CID 144730530
3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 139434807
6,6,7,7-tetrafluorocyclohepta-1,4-diene
CID 100925528
3-ethoxy-3,4,4-trifluorocyclobutene
CID 119098235
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrafluorothiophene?
The IUPAC name of 2,2,5,5-tetrafluorothiophene (CID 12916665) is 2,2,5,5-tetrafluorothiophene.
What is the SMILES notation for 2,2,5,5-tetrafluorothiophene?
The canonical SMILES for 2,2,5,5-tetrafluorothiophene is FC1(F)C=CC(F)(F)S1.
What is the InChIKey of 2,2,5,5-tetrafluorothiophene?
The InChIKey is ZFVQNGGXJPPIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4S/c5-3(6)1-2-4(7,8)9-3/h1-2H.
What are the key properties of 2,2,5,5-tetrafluorothiophene?
2,2,5,5-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 2,2,5,5-tetrafluorothiophene is sourced from PubChem (CID 12916665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).