1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane

C8H10F8S — CID 87155127

IUPAC1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
SMILESCC(F)(CC(F)(F)F)SC(C)(F)CC(F)(F)F
InChIInChI=1S/C8H10F8S/c1-5(9,3-7(11,12)13)17-6(2,10)4-8(14,15)16/h3-4H2,1-2H3
InChIKeyZGZDHBVJKLWBCS-UHFFFAOYSA-N
MW290.22 g/mol
LogP5.00
Rot. Bonds4

About 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane

1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane (PubChem CID 87155127) has the molecular formula C8H10F8S and a molecular weight of 290.22 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
PubChem CID87155127
Molecular FormulaC8H10F8S
Molecular Weight290.22 g/mol
Exact Mass290.04
IUPAC Name1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
SMILESCC(F)(CC(F)(F)F)SC(C)(F)CC(F)(F)F
InChIInChI=1S/C8H10F8S/c1-5(9,3-7(11,12)13)17-6(2,10)4-8(14,15)16/h3-4H2,1-2H3
InChIKeyZGZDHBVJKLWBCS-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane?
The IUPAC name of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane (CID 87155127) is 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane?
The canonical SMILES for 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane is CC(F)(CC(F)(F)F)SC(C)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane?
The InChIKey is ZGZDHBVJKLWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8S/c1-5(9,3-7(11,12)13)17-6(2,10)4-8(14,15)16/h3-4H2,1-2H3.
What are the key properties of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane?
1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane has a molecular weight of 290.22 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane is sourced from PubChem (CID 87155127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).