3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene

C7H3F3S2 — CID 102291789

IUPAC3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene
SMILESFC(F)(F)SC#Cc1ccsc1
InChIInChI=1S/C7H3F3S2/c8-7(9,10)12-4-2-6-1-3-11-5-6/h1,3,5H
InChIKeyKGKRLMHTWQNTEN-UHFFFAOYSA-N
MW208.23 g/mol
LogP3.31
Rot. Bonds

About 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene

3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene (PubChem CID 102291789) has the molecular formula C7H3F3S2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene
PubChem CID102291789
Molecular FormulaC7H3F3S2
Molecular Weight208.23 g/mol
Exact Mass207.96
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene
SMILESFC(F)(F)SC#Cc1ccsc1
InChIInChI=1S/C7H3F3S2/c8-7(9,10)12-4-2-6-1-3-11-5-6/h1,3,5H
InChIKeyKGKRLMHTWQNTEN-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene (CID 102291789) is 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene is FC(F)(F)SC#Cc1ccsc1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene?
The InChIKey is KGKRLMHTWQNTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3S2/c8-7(9,10)12-4-2-6-1-3-11-5-6/h1,3,5H.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene?
3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene has a molecular weight of 208.23 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethynyl]thiophene is sourced from PubChem (CID 102291789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).