1,6-bis(trifluoromethylsulfanyl)hexane

C8H12F6S2 — CID 153354667

IUPAC1,6-bis(trifluoromethylsulfanyl)hexane
SMILESFC(F)(F)SCCCCCCSC(F)(F)F
InChIInChI=1S/C8H12F6S2/c9-7(10,11)15-5-3-1-2-4-6-16-8(12,13)14/h1-6H2
InChIKeyIRABFLSTCKOJFB-UHFFFAOYSA-N
MW286.31 g/mol
LogP5.05
Rot. Bonds7

About 1,6-bis(trifluoromethylsulfanyl)hexane

1,6-bis(trifluoromethylsulfanyl)hexane (PubChem CID 153354667) has the molecular formula C8H12F6S2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1,6-bis(trifluoromethylsulfanyl)hexane.

Molecular Properties

Compound Name1,6-bis(trifluoromethylsulfanyl)hexane
PubChem CID153354667
Molecular FormulaC8H12F6S2
Molecular Weight286.31 g/mol
Exact Mass286.03
IUPAC Name1,6-bis(trifluoromethylsulfanyl)hexane
SMILESFC(F)(F)SCCCCCCSC(F)(F)F
InChIInChI=1S/C8H12F6S2/c9-7(10,11)15-5-3-1-2-4-6-16-8(12,13)14/h1-6H2
InChIKeyIRABFLSTCKOJFB-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.31
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)thio]butane-1-thiol
CID 85791444
1-[(Trifluoromethyl)sulfanyl]heptane
CID 12670658
Propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate
CID 4737272
1-[(2,2,3,3-Tetrafluoropropyl)thio]pentane
CID 2259847
1-Butylsulfanyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 10092845
5-Butylsulfanyl-1,1,1,2,2-pentafluoropentane
CID 17869460
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)thian-1-ium
CID 20802171
1-(2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl)thian-1-ium
CID 20802216
1-Ethylsulfanyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 23143917
1-(2,2,2-Trifluoroethylsulfanyl)hexane
CID 53956490
1-Fluoro-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796091
1-Fluoro-2-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796124

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(trifluoromethylsulfanyl)hexane?
The IUPAC name of 1,6-bis(trifluoromethylsulfanyl)hexane (CID 153354667) is 1,6-bis(trifluoromethylsulfanyl)hexane.
What is the SMILES notation for 1,6-bis(trifluoromethylsulfanyl)hexane?
The canonical SMILES for 1,6-bis(trifluoromethylsulfanyl)hexane is FC(F)(F)SCCCCCCSC(F)(F)F.
What is the InChIKey of 1,6-bis(trifluoromethylsulfanyl)hexane?
The InChIKey is IRABFLSTCKOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6S2/c9-7(10,11)15-5-3-1-2-4-6-16-8(12,13)14/h1-6H2.
What are the key properties of 1,6-bis(trifluoromethylsulfanyl)hexane?
1,6-bis(trifluoromethylsulfanyl)hexane has a molecular weight of 286.31 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(trifluoromethylsulfanyl)hexane is sourced from PubChem (CID 153354667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).