2,2,3,3-tetrafluoro-1-benzothiophene

C8H4F4S — CID 11637067

IUPAC2,2,3,3-tetrafluoro-1-benzothiophene
SMILESFC1(F)Sc2ccccc2C1(F)F
InChIInChI=1S/C8H4F4S/c9-7(10)5-3-1-2-4-6(5)13-8(7,11)12/h1-4H
InChIKeyILYULVYOFKSWPW-UHFFFAOYSA-N
MW208.18 g/mol
LogP3.48
Rot. Bonds

About 2,2,3,3-tetrafluoro-1-benzothiophene

2,2,3,3-tetrafluoro-1-benzothiophene (PubChem CID 11637067) has the molecular formula C8H4F4S and a molecular weight of 208.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-benzothiophene.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-benzothiophene
PubChem CID11637067
Molecular FormulaC8H4F4S
Molecular Weight208.18 g/mol
Exact Mass208.00
IUPAC Name2,2,3,3-tetrafluoro-1-benzothiophene
SMILESFC1(F)Sc2ccccc2C1(F)F
InChIInChI=1S/C8H4F4S/c9-7(10)5-3-1-2-4-6(5)13-8(7,11)12/h1-4H
InChIKeyILYULVYOFKSWPW-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 53.48
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-tetrafluoro-1-benzothiophene?
The IUPAC name of 2,2,3,3-tetrafluoro-1-benzothiophene (CID 11637067) is 2,2,3,3-tetrafluoro-1-benzothiophene.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-benzothiophene?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-benzothiophene is FC1(F)Sc2ccccc2C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-benzothiophene?
The InChIKey is ILYULVYOFKSWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4S/c9-7(10)5-3-1-2-4-6(5)13-8(7,11)12/h1-4H.
What are the key properties of 2,2,3,3-tetrafluoro-1-benzothiophene?
2,2,3,3-tetrafluoro-1-benzothiophene has a molecular weight of 208.18 g/mol, XLogP of 3.48, 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-tetrafluoro-1-benzothiophene is sourced from PubChem (CID 11637067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).