1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane

C4H6F4S — CID 54322268

IUPAC1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane
SMILESCC(F)(F)SC(C)(F)F
InChIInChI=1S/C4H6F4S/c1-3(5,6)9-4(2,7)8/h1-2H3
InChIKeySSLUKHOWDJQHJB-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.94
Rot. Bonds2

About 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane

1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane (PubChem CID 54322268) has the molecular formula C4H6F4S and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane.

Molecular Properties

Compound Name1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane
PubChem CID54322268
Molecular FormulaC4H6F4S
Molecular Weight162.15 g/mol
Exact Mass162.01
IUPAC Name1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane
SMILESCC(F)(F)SC(C)(F)F
InChIInChI=1S/C4H6F4S/c1-3(5,6)9-4(2,7)8/h1-2H3
InChIKeySSLUKHOWDJQHJB-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
1,1,1-trifluoroethane trichloride
CID 159910186
2,2-difluoropropane;ethane
CID 144524394
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803
1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
CID 87155127
potassium hexafluoroplatinum(2-)
CID 139033586
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
ethene;1,1,1-trifluoroethane
CID 175131333
calcium;hydride;1,1,1-trifluoroethane
CID 174891674
2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane
CID 23261775

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane?
The IUPAC name of 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane (CID 54322268) is 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane.
What is the SMILES notation for 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane?
The canonical SMILES for 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane is CC(F)(F)SC(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane?
The InChIKey is SSLUKHOWDJQHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4S/c1-3(5,6)9-4(2,7)8/h1-2H3.
What are the key properties of 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane?
1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane has a molecular weight of 162.15 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethylsulfanyl)-1,1-difluoroethane is sourced from PubChem (CID 54322268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).