pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane

C7H12F8S — CID 174871735

IUPACpentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane
SMILESFC(F)(F)CCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C7H12F8S/c8-7(9,10)5-3-1-2-4-6-16(11,12,13,14)15/h1-6H2
InChIKeyLGAHXKQLZCDDFF-UHFFFAOYSA-N
MW280.22 g/mol
LogP5.80
Rot. Bonds6

About pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane

pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane (PubChem CID 174871735) has the molecular formula C7H12F8S and a molecular weight of 280.22 g/mol. Its IUPAC name is pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane
PubChem CID174871735
Molecular FormulaC7H12F8S
Molecular Weight280.22 g/mol
Exact Mass280.05
IUPAC Namepentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane
SMILESFC(F)(F)CCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C7H12F8S/c8-7(9,10)5-3-1-2-4-6-16(11,12,13,14)15/h1-6H2
InChIKeyLGAHXKQLZCDDFF-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.22
LogP ≤ 55.80
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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Frequently Asked Questions

What is the IUPAC name of pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane?
The IUPAC name of pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane (CID 174871735) is pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane?
The canonical SMILES for pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane is FC(F)(F)CCCCCCS(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane?
The InChIKey is LGAHXKQLZCDDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F8S/c8-7(9,10)5-3-1-2-4-6-16(11,12,13,14)15/h1-6H2.
What are the key properties of pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane?
pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane has a molecular weight of 280.22 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(7,7,7-trifluoroheptyl)-λ6-sulfane is sourced from PubChem (CID 174871735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).