2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene

C8H6F8S — CID 90745204

IUPAC2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene
SMILESFC(=CSC=C(F)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H6F8S/c9-5(1-7(11,12)13)3-17-4-6(10)2-8(14,15)16/h3-4H,1-2H2
InChIKeyJGWAKUVTFBCGCN-UHFFFAOYSA-N
MW286.19 g/mol
LogP5.25
Rot. Bonds4

About 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene

2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene (PubChem CID 90745204) has the molecular formula C8H6F8S and a molecular weight of 286.19 g/mol. Its IUPAC name is 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene.

Molecular Properties

Compound Name2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene
PubChem CID90745204
Molecular FormulaC8H6F8S
Molecular Weight286.19 g/mol
Exact Mass286.01
IUPAC Name2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene
SMILESFC(=CSC=C(F)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H6F8S/c9-5(1-7(11,12)13)3-17-4-6(10)2-8(14,15)16/h3-4H,1-2H2
InChIKeyJGWAKUVTFBCGCN-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.19
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene?
The IUPAC name of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene (CID 90745204) is 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene.
What is the SMILES notation for 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene?
The canonical SMILES for 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene is FC(=CSC=C(F)CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene?
The InChIKey is JGWAKUVTFBCGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8S/c9-5(1-7(11,12)13)3-17-4-6(10)2-8(14,15)16/h3-4H,1-2H2.
What are the key properties of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene?
2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene has a molecular weight of 286.19 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene is sourced from PubChem (CID 90745204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).