1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane

C8H8F10S — CID 13444257

IUPAC1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane
SMILESFC(F)(F)C(F)(F)CCSCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10S/c9-5(10,7(13,14)15)1-3-19-4-2-6(11,12)8(16,17)18/h1-4H2
InChIKeyJCNBBJXNRJBUAI-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.89
Rot. Bonds6

About 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane

1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane (PubChem CID 13444257) has the molecular formula C8H8F10S and a molecular weight of 326.20 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane
PubChem CID13444257
Molecular FormulaC8H8F10S
Molecular Weight326.20 g/mol
Exact Mass326.02
IUPAC Name1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane
SMILESFC(F)(F)C(F)(F)CCSCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10S/c9-5(10,7(13,14)15)1-3-19-4-2-6(11,12)8(16,17)18/h1-4H2
InChIKeyJCNBBJXNRJBUAI-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Bis(ethylsulfanyl)-1,1,1,2,2,3,3-heptafluorobutane
CID 10040699
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfanyl)propane
CID 134968095
1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyl)propane
CID 87128471
Tetrafluoropropyl sulfide
CID 87155176
Propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate
CID 4737272
2,2,2',2'-Tetrafluorodipropyl sulfide
CID 129670314
1-[(2,2,3,3-Tetrafluoropropyl)thio]pentane
CID 2259847
Ethyl-1,1,2,3,3,3-hexafluoropropylsulfide
CID 533752
Kvmixdskqrmypo-uhfffaoysa-
CID 13101897
Wtdvlbzomoclls-uhfffaoysa-
CID 13101898
1-Butylsulfanyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 10092845
1-(1,1,2,2,2-Pentafluoroethylsulfanyl)butane
CID 11506712

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane?
The IUPAC name of 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane (CID 13444257) is 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane is FC(F)(F)C(F)(F)CCSCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane?
The InChIKey is JCNBBJXNRJBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10S/c9-5(10,7(13,14)15)1-3-19-4-2-6(11,12)8(16,17)18/h1-4H2.
What are the key properties of 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane?
1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane has a molecular weight of 326.20 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-4-(3,3,4,4,4-pentafluorobutylsulfanyl)butane is sourced from PubChem (CID 13444257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).