1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane

C6H6F8S — CID 87155176

IUPAC1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane
SMILESFC(CC(F)(F)F)SC(F)CC(F)(F)F
InChIInChI=1S/C6H6F8S/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyBMNZNYJLFCRIMF-UHFFFAOYSA-N
MW262.16 g/mol
LogP4.22
Rot. Bonds4

About 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane

1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane (PubChem CID 87155176) has the molecular formula C6H6F8S and a molecular weight of 262.16 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane
PubChem CID87155176
Molecular FormulaC6H6F8S
Molecular Weight262.16 g/mol
Exact Mass262.01
IUPAC Name1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane
SMILESFC(CC(F)(F)F)SC(F)CC(F)(F)F
InChIInChI=1S/C6H6F8S/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyBMNZNYJLFCRIMF-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 54.22
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-(1,3,3,3-tetrafluoropropylsulfanyl)propane?
The IUPAC name of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane (CID 87155176) is 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane?
The canonical SMILES for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane is FC(CC(F)(F)F)SC(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane?
The InChIKey is BMNZNYJLFCRIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8S/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2.
What are the key properties of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane?
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfanyl)propane has a molecular weight of 262.16 g/mol, XLogP of 4.22, 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-(1,3,3,3-tetrafluoropropylsulfanyl)propane is sourced from PubChem (CID 87155176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).