2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene

C8H7F3S2 — CID 11276152

IUPAC2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene
SMILESFC(F)=C(F)CCSc1cccs1
InChIInChI=1S/C8H7F3S2/c9-6(8(10)11)3-5-13-7-2-1-4-12-7/h1-2,4H,3,5H2
InChIKeyGDDIGILLLKSABT-UHFFFAOYSA-N
MW224.27 g/mol
LogP4.31
Rot. Bonds4

About 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene

2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene (PubChem CID 11276152) has the molecular formula C8H7F3S2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene
PubChem CID11276152
Molecular FormulaC8H7F3S2
Molecular Weight224.27 g/mol
Exact Mass223.99
IUPAC Name2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene
SMILESFC(F)=C(F)CCSc1cccs1
InChIInChI=1S/C8H7F3S2/c9-6(8(10)11)3-5-13-7-2-1-4-12-7/h1-2,4H,3,5H2
InChIKeyGDDIGILLLKSABT-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene (CID 11276152) is 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene is FC(F)=C(F)CCSc1cccs1.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene?
The InChIKey is GDDIGILLLKSABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S2/c9-6(8(10)11)3-5-13-7-2-1-4-12-7/h1-2,4H,3,5H2.
What are the key properties of 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene?
2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene has a molecular weight of 224.27 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene is sourced from PubChem (CID 11276152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).