pentafluoro(6-fluorohexyl)-λ6-sulfane

C6H12F6S — CID 174871696

IUPACpentafluoro(6-fluorohexyl)-λ6-sulfane
SMILESFCCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C6H12F6S/c7-5-3-1-2-4-6-13(8,9,10,11)12/h1-6H2
InChIKeyPTIAQPFPUZSLEN-UHFFFAOYSA-N
MW230.22 g/mol
LogP4.81
Rot. Bonds6

About pentafluoro(6-fluorohexyl)-λ6-sulfane

pentafluoro(6-fluorohexyl)-λ6-sulfane (PubChem CID 174871696) has the molecular formula C6H12F6S and a molecular weight of 230.22 g/mol. Its IUPAC name is pentafluoro(6-fluorohexyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(6-fluorohexyl)-λ6-sulfane
PubChem CID174871696
Molecular FormulaC6H12F6S
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Namepentafluoro(6-fluorohexyl)-λ6-sulfane
SMILESFCCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C6H12F6S/c7-5-3-1-2-4-6-13(8,9,10,11)12/h1-6H2
InChIKeyPTIAQPFPUZSLEN-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Chloro-tetrafluoro-hexyl-lambda6-sulfane
CID 176437544
5,5,6,6,6-Pentafluorohexanethiol
CID 86761442
Pentafluoro(pentyl)-lambda6-sulfane
CID 87183785
Pentafluoro-(4-fluorocyclohexyl)-lambda6-sulfane
CID 140478606
Pentafluoro-(2,4,6-trifluorocyclohexyl)-lambda6-sulfane
CID 140507528
4,4,5,5-Tetrafluoropentyl thiohypofluorite
CID 154489667
Pentafluoro(7-fluoroheptyl)-lambda6-sulfane
CID 174871668
Pentafluoro(7,7,7-trifluoroheptyl)-lambda6-sulfane
CID 174871735

Frequently Asked Questions

What is the IUPAC name of pentafluoro(6-fluorohexyl)-λ6-sulfane?
The IUPAC name of pentafluoro(6-fluorohexyl)-λ6-sulfane (CID 174871696) is pentafluoro(6-fluorohexyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(6-fluorohexyl)-λ6-sulfane?
The canonical SMILES for pentafluoro(6-fluorohexyl)-λ6-sulfane is FCCCCCCS(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(6-fluorohexyl)-λ6-sulfane?
The InChIKey is PTIAQPFPUZSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F6S/c7-5-3-1-2-4-6-13(8,9,10,11)12/h1-6H2.
What are the key properties of pentafluoro(6-fluorohexyl)-λ6-sulfane?
pentafluoro(6-fluorohexyl)-λ6-sulfane has a molecular weight of 230.22 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(6-fluorohexyl)-λ6-sulfane is sourced from PubChem (CID 174871696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).